6-ethyl-N-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 710865
• Molecular Formular: C17H18N4O4
• Molecular Mass: 342.34922
• Monoisotopic Mass: 342.13280508
• SMILES: c1(c(=O)n(c(c(c1)C)CC)C)C(=O)NCc1nc(on1)c1occc1
• Canonical SMILES: CCc1c(C)cc(c(=O)n1C)C(=O)NCc1noc(n1)c1ccco1
• InChI: InChI=1S/C17H18N4O4/c1-4-12-10(2)8-11(17(23)21(12)3)15(22)18-9-14-19-16(25-20-14)13-6-5-7-24-13/h5-8H,4,9H2,1-3H3,(H,18,22)
• InChIKey: NAPJFHSIOXLRTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-N-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 6-ethyl-N-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1,5-dimethyl-2-oxopyridine-3-carboxamide
• Synonyms: 6-ethyl-N-{[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methyl}-1,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.3609915
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4257296
• LogD (pH = 7.4): 1.4257255
• Log P: 1.4257299
• Molar Refractivity: 102.5922 cm^3
• Polarizability: 34.126976 Å^3
• Polar Surface Area: 101.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.14
• LOG S: -2.67
• Polar Surface Area: 103.16 Å^2
• Rotatable Bonds: 5