N3-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-N5-cyclopropyl-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide

• ChemBase ID: 574707
• Molecular Formular: C24H28ClN3O3
• Molecular Mass: 441.95042
• Monoisotopic Mass: 441.18191945
• SMILES: c1(c(=O)c(cn(c1)C1CCCCC1)C(=O)NCCc1c(Cl)cccc1)C(=O)NC1CC1
• Canonical SMILES: O=C(c1cn(cc(c1=O)C(=O)NC1CC1)C1CCCCC1)NCCc1ccccc1Cl
• InChI: InChI=1S/C24H28ClN3O3/c25-21-9-5-4-6-16(21)12-13-26-23(30)19-14-28(18-7-2-1-3-8-18)15-20(22(19)29)24(31)27-17-10-11-17/h4-6,9,14-15,17-18H,1-3,7-8,10-13H2,(H,26,30)(H,27,31)
• InChIKey: NVZNHWMGTNGMNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-N5-cyclopropyl-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide
• IUPAC Traditional name: N3-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-N5-cyclopropyl-4-oxopyridine-3,5-dicarboxamide
• Synonyms: N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-N'-cyclopropyl-4-oxo-1,4-dihydro-3,5-pyridinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.463944
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.5467665
• LogD (pH = 7.4): 3.5467668
• Log P: 3.5467668
• Molar Refractivity: 120.8953 cm^3
• Polarizability: 46.31741 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.52
• LOG S: -7.84
• Polar Surface Area: 80.2 Å^2
• Rotatable Bonds: 7