1-cyclohexyl-N3,N5-dimethyl-4-oxo-N3-(2-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxamide

• ChemBase ID: 759803
• Molecular Formular: C23H29N3O3
• Molecular Mass: 395.49466
• Monoisotopic Mass: 395.2208918
• SMILES: c1(c(=O)c(cn(c1)C1CCCCC1)C(=O)NC)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CNC(=O)c1cn(cc(c1=O)C(=O)N(CCc1ccccc1)C)C1CCCCC1
• InChI: InChI=1S/C23H29N3O3/c1-24-22(28)19-15-26(18-11-7-4-8-12-18)16-20(21(19)27)23(29)25(2)14-13-17-9-5-3-6-10-17/h3,5-6,9-10,15-16,18H,4,7-8,11-14H2,1-2H3,(H,24,28)
• InChIKey: CHXNRCDWYRKNBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N3,N5-dimethyl-4-oxo-N3-(2-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxamide
• IUPAC Traditional name: 1-cyclohexyl-N3,N5-dimethyl-4-oxo-N3-(2-phenylethyl)pyridine-3,5-dicarboxamide
• Synonyms: 1-cyclohexyl-N,N'-dimethyl-4-oxo-N-(2-phenylethyl)-1,4-dihydro-3,5-pyridinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.425896
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7008333
• LogD (pH = 7.4): 2.7008336
• Log P: 2.7008336
• Molar Refractivity: 113.776 cm^3
• Polarizability: 43.32038 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.15
• LOG S: -5.83
• Polar Surface Area: 71.41 Å^2
• Rotatable Bonds: 6