N-[2-(4-methoxyphenyl)ethyl]-2-(5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl)acetamide

• ChemBase ID: 608533
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: c1(=O)n(ccc2c1cccn2)CC(=O)NCCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)Cn1ccc2c(c1=O)cccn2
• InChI: InChI=1S/C19H19N3O3/c1-25-15-6-4-14(5-7-15)8-11-21-18(23)13-22-12-9-17-16(19(22)24)3-2-10-20-17/h2-7,9-10,12H,8,11,13H2,1H3,(H,21,23)
• InChIKey: NMSRFORCHTUMES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)ethyl]-2-(5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl)acetamide
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)ethyl]-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide
• Synonyms: N-[2-(4-methoxyphenyl)ethyl]-2-(5-oxo-1,6-naphthyridin-6(5H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.8912945
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3111115
• LogD (pH = 7.4): 1.3140368
• Log P: 1.3140743
• Molar Refractivity: 94.3628 cm^3
• Polarizability: 35.74264 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.49
• LOG S: -2.93
• Polar Surface Area: 73.22 Å^2
• Rotatable Bonds: 6