N-(furan-2-ylmethyl)-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)acetamide

• ChemBase ID: 628099
• Molecular Formular: C13H14N2O4
• Molecular Mass: 262.26126
• Monoisotopic Mass: 262.09535694
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)NCc1occc1
• Canonical SMILES: COc1cccn(c1=O)CC(=O)NCc1ccco1
• InChI: InChI=1S/C13H14N2O4/c1-18-11-5-2-6-15(13(11)17)9-12(16)14-8-10-4-3-7-19-10/h2-7H,8-9H2,1H3,(H,14,16)
• InChIKey: MWTPLYACYMRSFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)acetamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-(3-methoxy-2-oxopyridin-1-yl)acetamide
• Synonyms: N-(2-furylmethyl)-2-(3-methoxy-2-oxopyridin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.957913
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.21402249
• LogD (pH = 7.4): -0.21402353
• Log P: -0.21402247
• Molar Refractivity: 69.4676 cm^3
• Polarizability: 25.730955 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.09
• LOG S: -2.35
• Polar Surface Area: 73.47 Å^2
• Rotatable Bonds: 5