N-(1,2-diphenylethyl)-2-ethyl-6-methyl-4-oxo-1-[2-(piperidin-1-yl)ethyl]-1,4-dihydropyridine-3-carboxamide

• ChemBase ID: 631437
• Molecular Formular: C30H37N3O2
• Molecular Mass: 471.63368
• Monoisotopic Mass: 471.28857744
• SMILES: c1(c(n(c(cc1=O)C)CCN1CCCCC1)CC)C(=O)NC(Cc1ccccc1)c1ccccc1
• Canonical SMILES: CCc1c(C(=O)NC(c2ccccc2)Cc2ccccc2)c(=O)cc(n1CCN1CCCCC1)C
• InChI: InChI=1S/C30H37N3O2/c1-3-27-29(28(34)21-23(2)33(27)20-19-32-17-11-6-12-18-32)30(35)31-26(25-15-9-5-10-16-25)22-24-13-7-4-8-14-24/h4-5,7-10,13-16,21,26H,3,6,11-12,17-20,22H2,1-2H3,(H,31,35)
• InChIKey: QAPHYKWNFFPTAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,2-diphenylethyl)-2-ethyl-6-methyl-4-oxo-1-[2-(piperidin-1-yl)ethyl]-1,4-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-(1,2-diphenylethyl)-2-ethyl-6-methyl-4-oxo-1-[2-(piperidin-1-yl)ethyl]pyridine-3-carboxamide
• Synonyms: N-(1,2-diphenylethyl)-2-ethyl-6-methyl-4-oxo-1-[2-(1-piperidinyl)ethyl]-1,4-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.962832
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5992515
• LogD (pH = 7.4): 4.3732843
• Log P: 5.253829
• Molar Refractivity: 145.678 cm^3
• Polarizability: 55.10232 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.6
• LOG S: -6.02
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 8