N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 672808
• Molecular Formular: C20H20N4O3
• Molecular Mass: 364.3978
• Monoisotopic Mass: 364.15354052
• SMILES: c1(c(=O)[nH]c(cc1)c1ccccc1)C(=O)N(Cc1nc(on1)C1CC1)CC
• Canonical SMILES: CCN(C(=O)c1ccc([nH]c1=O)c1ccccc1)Cc1noc(n1)C1CC1
• InChI: InChI=1S/C20H20N4O3/c1-2-24(12-17-22-19(27-23-17)14-8-9-14)20(26)15-10-11-16(21-18(15)25)13-6-4-3-5-7-13/h3-7,10-11,14H,2,8-9,12H2,1H3,(H,21,25)
• InChIKey: LAHFWHNKBCMOKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
• Synonyms: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.109035
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6962591
• LogD (pH = 7.4): 1.6954943
• Log P: 1.696269
• Molar Refractivity: 102.7462 cm^3
• Polarizability: 37.62058 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.73
• LOG S: -2.48
• Polar Surface Area: 92.09 Å^2
• Rotatable Bonds: 6