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

• ChemBase ID: 629216
• Molecular Formular: C17H22N4O3
• Molecular Mass: 330.38158
• Monoisotopic Mass: 330.16919058
• SMILES: c1(c(=O)[nH]c(c(c1)C)C)C(=O)NCc1nc(no1)C1CCCCC1
• Canonical SMILES: O=C(c1cc(C)c([nH]c1=O)C)NCc1onc(n1)C1CCCCC1
• InChI: InChI=1S/C17H22N4O3/c1-10-8-13(17(23)19-11(10)2)16(22)18-9-14-20-15(21-24-14)12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,18,22)(H,19,23)
• InChIKey: FOLNLJKQFQWSKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.984061
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7739117
• LogD (pH = 7.4): 1.7738097
• Log P: 1.773913
• Molar Refractivity: 91.3219 cm^3
• Polarizability: 33.512066 Å^3
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.17
• LOG S: -2.61
• Polar Surface Area: 100.88 Å^2
• Rotatable Bonds: 4