N,4,6-trimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 684423
• Molecular Formular: C13H16N4O3
• Molecular Mass: 276.29114
• Monoisotopic Mass: 276.12224039
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)N(CCc1ncon1)C
• Canonical SMILES: CN(C(=O)c1c(C)cc([nH]c1=O)C)CCc1nocn1
• InChI: InChI=1S/C13H16N4O3/c1-8-6-9(2)15-12(18)11(8)13(19)17(3)5-4-10-14-7-20-16-10/h6-7H,4-5H2,1-3H3,(H,15,18)
• InChIKey: RWRWVGWQIPDXNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4,6-trimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N,4,6-trimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N,4,6-trimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.0340395
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.013502143
• LogD (pH = 7.4): -0.0135929175
• Log P: -0.013500747
• Molar Refractivity: 75.2751 cm^3
• Polarizability: 26.98491 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.88
• LOG S: -1.77
• Polar Surface Area: 92.09 Å^2
• Rotatable Bonds: 4