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

• ChemBase ID: 532713
• Molecular Formular: C25H30FN3O3
• Molecular Mass: 439.5224032
• Monoisotopic Mass: 439.22712006
• SMILES: c1(c(=O)c(cn(c1)C1CC1)C(=O)NCCc1c(F)cccc1)C(=O)NC1CCCCCC1
• Canonical SMILES: O=C(c1cn(cc(c1=O)C(=O)NC1CCCCCC1)C1CC1)NCCc1ccccc1F
• InChI: InChI=1S/C25H30FN3O3/c26-22-10-6-5-7-17(22)13-14-27-24(31)20-15-29(19-11-12-19)16-21(23(20)30)25(32)28-18-8-3-1-2-4-9-18/h5-7,10,15-16,18-19H,1-4,8-9,11-14H2,(H,27,31)(H,28,32)
• InChIKey: FWZHXCJEHZIQEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.412488
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.529992
• LogD (pH = 7.4): 3.5299926
• Log P: 3.5299926
• Molar Refractivity: 120.9079 cm^3
• Polarizability: 45.953312 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: 2.51
• LOG S: -7.7
• Polar Surface Area: 80.2 Å^2
• Rotatable Bonds: 7