N3-tert-butyl-1-cyclohexyl-N5-[(2,4-dimethoxyphenyl)methyl]-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide

• ChemBase ID: 579318
• Molecular Formular: C26H35N3O5
• Molecular Mass: 469.5732
• Monoisotopic Mass: 469.25767124
• SMILES: c1(c(=O)c(cn(c1)C1CCCCC1)C(=O)NCc1c(cc(cc1)OC)OC)C(=O)NC(C)(C)C
• Canonical SMILES: COc1cc(OC)ccc1CNC(=O)c1cn(cc(c1=O)C(=O)NC(C)(C)C)C1CCCCC1
• InChI: InChI=1S/C26H35N3O5/c1-26(2,3)28-25(32)21-16-29(18-9-7-6-8-10-18)15-20(23(21)30)24(31)27-14-17-11-12-19(33-4)13-22(17)34-5/h11-13,15-16,18H,6-10,14H2,1-5H3,(H,27,31)(H,28,32)
• InChIKey: KZACZGFLCPGPEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-tert-butyl-1-cyclohexyl-N5-[(2,4-dimethoxyphenyl)methyl]-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide
• IUPAC Traditional name: N3-tert-butyl-1-cyclohexyl-N5-[(2,4-dimethoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
• Synonyms: N-(tert-butyl)-1-cyclohexyl-N'-(2,4-dimethoxybenzyl)-4-oxo-1,4-dihydro-3,5-pyridinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.655687
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 2.927113
• LogD (pH = 7.4): 2.9271133
• Log P: 2.9271135
• Molar Refractivity: 130.8563 cm^3
• Polarizability: 50.210537 Å^3
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.57
• LOG S: -6.91
• Polar Surface Area: 98.66 Å^2
• Rotatable Bonds: 6