Identification

Generic Name
Propionamide
DrugBank Accession Number
DB04161
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 73.0938
Monoisotopic: 73.052763851
Chemical Formula
C3H7NO
Synonyms
  • Propanimidic acid
  • Propionic acid amide
  • Propionic amide
External IDs
  • NSC-38708

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Carboxylic acid derivatives
Direct Parent
Primary carboxylic acid amides
Alternative Parents
Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aliphatic acyclic compound / Carbonyl group / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound / Organonitrogen compound / Organooxygen compound / Organopnictogen compound / Primary carboxylic acid amide
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
monocarboxylic acid amide (CHEBI:45422) / a small molecule (PROPIONAMIDE)
Affected organisms
Not Available

Chemical Identifiers

UNII
QK07G0HP47
CAS number
79-05-0
InChI Key
QLNJFJADRCOGBJ-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
IUPAC Name
propanamide
SMILES
CCC(N)=O

References

Synthesis Reference

Alexander Mihailovski, Raymond A. Simone, "Production of N,N-diethyl 2(.alpha.-naphthoxy)propionamide." U.S. Patent US3998880, issued May, 1966.

US3998880
General References
Not Available
PubChem Compound
6578
PubChem Substance
46508480
ChemSpider
6330
RxNav
1366667
ChEBI
45422
ChEMBL
CHEMBL1235716
ZINC
ZINC000001670847
PDBe Ligand
ROP
Wikipedia
Propanamide
PDB Entries
1i8n / 3zvi / 4gyl / 4izu / 4izv / 4wgf / 5nye

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility364.0 mg/mLALOGPS
logP-0.65ALOGPS
logP-0.33ChemAxon
logS0.7ALOGPS
pKa (Strongest Acidic)16.86ChemAxon
pKa (Strongest Basic)-1.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area43.09 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity19.09 m3·mol-1ChemAxon
Polarizability7.69 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9957
Blood Brain Barrier+0.9951
Caco-2 permeable+0.6797
P-glycoprotein substrateNon-substrate0.8163
P-glycoprotein inhibitor INon-inhibitor0.9325
P-glycoprotein inhibitor IINon-inhibitor0.9959
Renal organic cation transporterNon-inhibitor0.9335
CYP450 2C9 substrateNon-substrate0.8422
CYP450 2D6 substrateNon-substrate0.7583
CYP450 3A4 substrateNon-substrate0.7081
CYP450 1A2 substrateNon-inhibitor0.5876
CYP450 2C9 inhibitorNon-inhibitor0.9184
CYP450 2D6 inhibitorNon-inhibitor0.9559
CYP450 2C19 inhibitorNon-inhibitor0.9236
CYP450 3A4 inhibitorNon-inhibitor0.9427
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9297
Ames testNon AMES toxic0.9704
CarcinogenicityCarcinogens 0.5163
BiodegradationReady biodegradable0.7134
Rat acute toxicity1.9709 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9893
hERG inhibition (predictor II)Non-inhibitor0.9695
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - EI-BGC-MSsplash10-0006-0000920400-d0f51316d5340927c4bf
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52