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

• ChemBase ID: 820530
• Molecular Formular: C14H16N2O3S
• Molecular Mass: 292.35344
• Monoisotopic Mass: 292.08816338
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)N(Cc1sccc1)C
• Canonical SMILES: COc1cccn(c1=O)CC(=O)N(Cc1cccs1)C
• InChI: InChI=1S/C14H16N2O3S/c1-15(9-11-5-4-8-20-11)13(17)10-16-7-3-6-12(19-2)14(16)18/h3-8H,9-10H2,1-2H3
• InChIKey: HJTPSPLFKGCDBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.270393
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8622883
• LogD (pH = 7.4): 0.8622883
• Log P: 0.8622883
• Molar Refractivity: 78.8633 cm^3
• Polarizability: 29.338982 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.71
• LOG S: -1.94
• Polar Surface Area: 51.54 Å^2
• Rotatable Bonds: 5