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

• ChemBase ID: 560470
• Molecular Formular: C16H20N4O3
• Molecular Mass: 316.355
• Monoisotopic Mass: 316.15354052
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)NCCc1nc(on1)C1CCC1
• Canonical SMILES: O=C(c1c(C)cc([nH]c1=O)C)NCCc1noc(n1)C1CCC1
• InChI: InChI=1S/C16H20N4O3/c1-9-8-10(2)18-15(22)13(9)14(21)17-7-6-12-19-16(23-20-12)11-4-3-5-11/h8,11H,3-7H2,1-2H3,(H,17,21)(H,18,22)
• InChIKey: FAUAOGANPWFYFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.034844
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1242137
• LogD (pH = 7.4): 1.124123
• Log P: 1.124215
• Molar Refractivity: 86.8193 cm^3
• Polarizability: 31.68254 Å^3
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.21
• LOG S: -3.0
• Polar Surface Area: 100.88 Å^2
• Rotatable Bonds: 5