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

• ChemBase ID: 609694
• Molecular Formular: C23H36N4O3
• Molecular Mass: 416.55694
• Monoisotopic Mass: 416.27874103
• SMILES: c1(c(=O)c(cn(c1)C1CC1)C(=O)NCC(CN(C)C)(C)C)C(=O)NC1CCCCC1
• Canonical SMILES: CN(CC(CNC(=O)c1cn(cc(c1=O)C(=O)NC1CCCCC1)C1CC1)(C)C)C
• InChI: InChI=1S/C23H36N4O3/c1-23(2,15-26(3)4)14-24-21(29)18-12-27(17-10-11-17)13-19(20(18)28)22(30)25-16-8-6-5-7-9-16/h12-13,16-17H,5-11,14-15H2,1-4H3,(H,24,29)(H,25,30)
• InChIKey: QZTQRAOFUFEJIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.060434
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.98912966
• LogD (pH = 7.4): 0.7372712
• Log P: 1.9798671
• Molar Refractivity: 118.3667 cm^3
• Polarizability: 45.57979 Å^3
• Polar Surface Area: 81.75 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.2
• LOG S: -4.66
• Polar Surface Area: 83.44 Å^2
• Rotatable Bonds: 7