5-(6-methoxypyridin-3-yl)naphthalene-1-carboxamide

• ChemBase ID: 793080
• Molecular Formular: C17H14N2O2
• Molecular Mass: 278.30526
• Monoisotopic Mass: 278.1055277
• SMILES: c12c(c(c3cnc(cc3)OC)ccc2)cccc1C(=O)N
• Canonical SMILES: COc1ccc(cn1)c1cccc2c1cccc2C(=O)N
• InChI: InChI=1S/C17H14N2O2/c1-21-16-9-8-11(10-19-16)12-4-2-6-14-13(12)5-3-7-15(14)17(18)20/h2-10H,1H3,(H2,18,20)
• InChIKey: WXVJVKHKEHLJMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(6-methoxypyridin-3-yl)naphthalene-1-carboxamide
• IUPAC Traditional name: 5-(6-methoxypyridin-3-yl)naphthalene-1-carboxamide
• Synonyms: 5-(6-methoxypyridin-3-yl)-1-naphthamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6793365
• LogD (pH = 7.4): 2.6796975
• Log P: 2.679702
• Molar Refractivity: 81.3426 cm^3
• Polarizability: 33.307762 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 14.94747

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.93
• LOG S: -3.73
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3