2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

• ChemBase ID: 470466
• Molecular Formular: C18H18N4O4
• Molecular Mass: 354.35992
• Monoisotopic Mass: 354.13280508
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)N(Cc1oc(nn1)c1ccccc1)C
• Canonical SMILES: COc1cccn(c1=O)CC(=O)N(Cc1nnc(o1)c1ccccc1)C
• InChI: InChI=1S/C18H18N4O4/c1-21(16(23)12-22-10-6-9-14(25-2)18(22)24)11-15-19-20-17(26-15)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
• InChIKey: YNFFQBVZIJMJGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• IUPAC Traditional name: 2-(3-methoxy-2-oxopyridin-1-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• Synonyms: 2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.24089
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.028783366
• LogD (pH = 7.4): 0.028783377
• Log P: 0.028783377
• Molar Refractivity: 107.3276 cm^3
• Polarizability: 36.06475 Å^3
• Polar Surface Area: 88.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.05
• LOG S: -3.05
• Polar Surface Area: 90.46 Å^2
• Rotatable Bonds: 6