6-methyl-2-oxo-N-[2-phenyl-2-(piperidin-1-yl)ethyl]-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 863810
• Molecular Formular: C20H25N3O2
• Molecular Mass: 339.4314
• Monoisotopic Mass: 339.19467706
• SMILES: c1(C(=O)NCC(N2CCCCC2)c2ccccc2)cc(=O)[nH]c(c1)C
• Canonical SMILES: O=C(c1cc(C)[nH]c(=O)c1)NCC(c1ccccc1)N1CCCCC1
• InChI: InChI=1S/C20H25N3O2/c1-15-12-17(13-19(24)22-15)20(25)21-14-18(16-8-4-2-5-9-16)23-10-6-3-7-11-23/h2,4-5,8-9,12-13,18H,3,6-7,10-11,14H2,1H3,(H,21,25)(H,22,24)
• InChIKey: NOLOEYIOONASER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-oxo-N-[2-phenyl-2-(piperidin-1-yl)ethyl]-1,2-dihydropyridine-4-carboxamide
• IUPAC Traditional name: 2-methyl-6-oxo-N-[2-phenyl-2-(piperidin-1-yl)ethyl]-1H-pyridine-4-carboxamide
• Synonyms: 6-methyl-2-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)-1,2-dihydropyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.968433
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1423106
• LogD (pH = 7.4): 0.6106806
• Log P: 1.7239728
• Molar Refractivity: 101.0264 cm^3
• Polarizability: 38.11099 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.63
• LOG S: -3.07
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 5