Metabolite Finerenone M14 Metabolite
- Name
- Finerenone M14 Metabolite
- Description
- Not Available
- Structure
Structure for Finerenone M14 Metabolite
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 354.41
Monoisotopic: 354.169190584 - Chemical Formula
- C19H22N4O3
- InChI Key
- DEOKSVNIGPLUNG-AWEZNQCLSA-N
- InChI
- InChI=1S/C19H22N4O3/c1-4-26-19-17(18(22)11(2)10-23-19)14(8-16(21)24)13-6-5-12(9-20)7-15(13)25-3/h5-7,10,14H,4,8H2,1-3H3,(H2,21,24)(H2,22,23)/t14-/m0/s1
- IUPAC Name
- (3S)-3-(4-amino-2-ethoxy-5-methylpyridin-3-yl)-3-(4-cyano-2-methoxyphenyl)propanamide
- SMILES
- CCOC1=NC=C(C)C(N)=C1[C@@H](CC(N)=O)C1=CC=C(C=C1OC)C#N
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 181.11084 predictedDeepCCS 1.0 (2019) [M+H]+ 183.46883 predictedDeepCCS 1.0 (2019) [M+Na]+ 190.31898 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0511 mg/mL ALOGPS logP 1.83 ALOGPS logP 1.63 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 15.5 Chemaxon pKa (Strongest Basic) 6.98 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 124.25 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 99.73 m3·mol-1 Chemaxon Polarizability 37.18 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon