N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-hydroxypyridine-3-carboxamide

• ChemBase ID: 820350
• Molecular Formular: C20H23N3O2
• Molecular Mass: 337.41552
• Monoisotopic Mass: 337.17902699
• SMILES: C(=O)(c1c(nccc1)O)NC1CN(C2Cc3c(C2)cccc3)CCC1
• Canonical SMILES: O=C(c1cccnc1O)NC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C20H23N3O2/c24-19-18(8-3-9-21-19)20(25)22-16-7-4-10-23(13-16)17-11-14-5-1-2-6-15(14)12-17/h1-3,5-6,8-9,16-17H,4,7,10-13H2,(H,21,24)(H,22,25)
• InChIKey: DSNCPHCFMLYGPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-hydroxypyridine-3-carboxamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-hydroxypyridine-3-carboxamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-2-hydroxynicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.042369
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.56202847
• LogD (pH = 7.4): 2.324309
• Log P: 3.232647
• Molar Refractivity: 97.7483 cm^3
• Polarizability: 37.11196 Å^3
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.62
• LOG S: -3.9
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 3