BGP-15Product ingredient for NP-51

Show full entry for NP-51
Name
BGP-15
Drug Entry
NP-51
Accession Number
DBSALT003240
Structure
Similar Structures
Synonyms
(+/-)-O-(3-Piperidino-2-hydroxy-1-propyl)nicotinic acid amidoxime dihydrochloride / 3-PYRIDINECARBOXIMIDAMIDE, N-(2-HYDROXY-3-(1-PIPERIDINYL)PROPOXY)-, DIHYDROCHLORIDE / 3-PYRIDINECARBOXIMIDAMIDE, N-(2-HYDROXY-3-(1-PIPERIDINYL)PROPOXY)-, HYDROCHLORIDE (1:2) / R,S-O-(3-PIPERIDINO-2-HYDROXY-1-PROPYL)-NICOTINIC ACID AMIDOXIME DIHYDROCHLORIDE
UNII
RLN2GTG4YS
CAS Number
66611-37-8
Weight
Average: 351.27
Monoisotopic: 350.1276314
Chemical Formula
C14H24Cl2N4O2
InChI Key
ISGGVCWFTPTHIX-UHFFFAOYSA-N
InChI
InChI=1S/C14H22N4O2.2ClH/c15-14(12-5-4-6-16-9-12)17-20-11-13(19)10-18-7-2-1-3-8-18;;/h4-6,9,13,19H,1-3,7-8,10-11H2,(H2,15,17);2*1H
IUPAC Name
N-[2-hydroxy-3-(piperidin-1-yl)propoxy]pyridine-3-carboximidamide dihydrochloride
SMILES
Cl.Cl.OC(CONC(=N)C1=CC=CN=C1)CN1CCCCC1
ChemSpider
8060481
ChEMBL
CHEMBL5027913
Predicted Properties
PropertyValueSource
logP0.35Chemaxon
pKa (Strongest Acidic)14.03Chemaxon
pKa (Strongest Basic)9.21Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area81.47 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity98.44 m3·mol-1Chemaxon
Polarizability30.19 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon