N3-cycloheptyl-1-cyclopropyl-N5-(2,3-dihydro-1H-inden-2-yl)-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide

• ChemBase ID: 452541
• Molecular Formular: C26H31N3O3
• Molecular Mass: 433.54264
• Monoisotopic Mass: 433.23654187
• SMILES: c1(c(=O)c(cn(c1)C1CC1)C(=O)NC1CCCCCC1)C(=O)NC1Cc2c(C1)cccc2
• Canonical SMILES: O=C(c1cn(cc(c1=O)C(=O)NC1CCCCCC1)C1CC1)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C26H31N3O3/c30-24-22(25(31)27-19-9-3-1-2-4-10-19)15-29(21-11-12-21)16-23(24)26(32)28-20-13-17-7-5-6-8-18(17)14-20/h5-8,15-16,19-21H,1-4,9-14H2,(H,27,31)(H,28,32)
• InChIKey: NVUBRYCXGNUREM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-cycloheptyl-1-cyclopropyl-N5-(2,3-dihydro-1H-inden-2-yl)-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide
• IUPAC Traditional name: N3-cycloheptyl-1-cyclopropyl-N5-(2,3-dihydro-1H-inden-2-yl)-4-oxopyridine-3,5-dicarboxamide
• Synonyms: N-cycloheptyl-1-cyclopropyl-N'-(2,3-dihydro-1H-inden-2-yl)-4-oxo-1,4-dihydro-3,5-pyridinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.820163
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.4869456
• LogD (pH = 7.4): 3.4869463
• Log P: 3.4869463
• Molar Refractivity: 123.6713 cm^3
• Polarizability: 47.385384 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.25
• LOG S: -7.72
• Polar Surface Area: 80.2 Å^2
• Rotatable Bonds: 5