N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-5-phenoxyfuran-2-carboxamide

• ChemBase ID: 422303
• Molecular Formular: C18H16N2O4
• Molecular Mass: 324.33064
• Monoisotopic Mass: 324.111007
• SMILES: n1(c(=O)cc(cc1C)C)NC(=O)c1oc(cc1)Oc1ccccc1
• Canonical SMILES: Cc1cc(C)n(c(=O)c1)NC(=O)c1ccc(o1)Oc1ccccc1
• InChI: InChI=1S/C18H16N2O4/c1-12-10-13(2)20(16(21)11-12)19-18(22)15-8-9-17(24-15)23-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,22)
• InChIKey: SLAKHHZXNKSTRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-5-phenoxyfuran-2-carboxamide
• IUPAC Traditional name: N-(2,4-dimethyl-6-oxopyridin-1-yl)-5-phenoxyfuran-2-carboxamide
• Synonyms: N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)-5-phenoxy-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.479134
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3768454
• LogD (pH = 7.4): 2.3768137
• Log P: 2.3768458
• Molar Refractivity: 89.5678 cm^3
• Polarizability: 33.27308 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.18
• LOG S: -4.28
• Polar Surface Area: 73.47 Å^2
• Rotatable Bonds: 4