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

• ChemBase ID: 828666
• Molecular Formular: C15H20N4O3
• Molecular Mass: 304.3443
• Monoisotopic Mass: 304.15354052
• SMILES: c1(c(=O)[nH]c(c(c1)C)C)C(=O)N(Cc1nnc(o1)CC)CC
• Canonical SMILES: CCN(C(=O)c1cc(C)c([nH]c1=O)C)Cc1nnc(o1)CC
• InChI: InChI=1S/C15H20N4O3/c1-5-12-17-18-13(22-12)8-19(6-2)15(21)11-7-9(3)10(4)16-14(11)20/h7H,5-6,8H2,1-4H3,(H,16,20)
• InChIKey: WAKUMIGRFJIBEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.002492
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.35056517
• LogD (pH = 7.4): -0.35065976
• Log P: -0.35056368
• Molar Refractivity: 84.5177 cm^3
• Polarizability: 30.565691 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.26
• LOG S: -2.95
• Polar Surface Area: 92.09 Å^2
• Rotatable Bonds: 5