3-methoxy-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1,2-dihydropyridin-2-one

• ChemBase ID: 600256
• Molecular Formular: C15H18N2O3
• Molecular Mass: 274.31502
• Monoisotopic Mass: 274.13174245
• SMILES: n1(c(=O)c(ccc1)OC)Cc1c(c(c(cn1)C)OC)C
• Canonical SMILES: COc1c(C)cnc(c1C)Cn1cccc(c1=O)OC
• InChI: InChI=1S/C15H18N2O3/c1-10-8-16-12(11(2)14(10)20-4)9-17-7-5-6-13(19-3)15(17)18/h5-8H,9H2,1-4H3
• InChIKey: YJNGMXRRDHVGBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 3-methoxy-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]pyridin-2-one
• Synonyms: 3-methoxy-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]pyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.62014645
• LogD (pH = 7.4): 1.5083971
• Log P: 1.5639851
• Molar Refractivity: 78.1397 cm^3
• Polarizability: 29.062775 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.32
• LOG S: -2.33
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 4