2-[2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-methylacetamido]-N,N-dimethylpropanamide

• ChemBase ID: 485887
• Molecular Formular: C14H21N3O4
• Molecular Mass: 295.33424
• Monoisotopic Mass: 295.15320617
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)N(C(C(=O)N(C)C)C)C
• Canonical SMILES: COc1cccn(c1=O)CC(=O)N(C(C(=O)N(C)C)C)C
• InChI: InChI=1S/C14H21N3O4/c1-10(13(19)15(2)3)16(4)12(18)9-17-8-6-7-11(21-5)14(17)20/h6-8,10H,9H2,1-5H3
• InChIKey: MCOYRBGUAWPSJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-methylacetamido]-N,N-dimethylpropanamide
• IUPAC Traditional name: 2-[2-(3-methoxy-2-oxopyridin-1-yl)-N-methylacetamido]-N,N-dimethylpropanamide
• Synonyms: N~2~-[(3-methoxy-2-oxopyridin-1(2H)-yl)acetyl]-N~1~,N~1~,N~2~-trimethylalaninamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.203629
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0879091
• LogD (pH = 7.4): -1.0879091
• Log P: -1.0879091
• Molar Refractivity: 79.5549 cm^3
• Polarizability: 29.69085 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.01
• LOG S: -1.8
• Polar Surface Area: 71.85 Å^2
• Rotatable Bonds: 5