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

• ChemBase ID: 477444
• Molecular Formular: C26H33N3O4
• Molecular Mass: 451.55792
• Monoisotopic Mass: 451.24710655
• SMILES: c1(c(=O)c(cn(c1)C1CC1)C(=O)NCCc1c(OC)cccc1)C(=O)NC1CCCCCC1
• Canonical SMILES: COc1ccccc1CCNC(=O)c1cn(cc(c1=O)C(=O)NC1CCCCCC1)C1CC1
• InChI: InChI=1S/C26H33N3O4/c1-33-23-11-7-6-8-18(23)14-15-27-25(31)21-16-29(20-12-13-20)17-22(24(21)30)26(32)28-19-9-4-2-3-5-10-19/h6-8,11,16-17,19-20H,2-5,9-10,12-15H2,1H3,(H,27,31)(H,28,32)
• InChIKey: UZWZDXBQEANOEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.817798
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.229619
• LogD (pH = 7.4): 3.2296195
• Log P: 3.2296195
• Molar Refractivity: 127.1547 cm^3
• Polarizability: 48.7984 Å^3
• Polar Surface Area: 87.74 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: 2.29
• LOG S: -7.39
• Polar Surface Area: 89.43 Å^2
• Rotatable Bonds: 7