4-(5-methoxypyridin-3-yl)benzamide

• ChemBase ID: 858348
• Molecular Formular: C13H12N2O2
• Molecular Mass: 228.24658
• Monoisotopic Mass: 228.08987763
• SMILES: C(=O)(c1ccc(c2cc(cnc2)OC)cc1)N
• Canonical SMILES: COc1cncc(c1)c1ccc(cc1)C(=O)N
• InChI: InChI=1S/C13H12N2O2/c1-17-12-6-11(7-15-8-12)9-2-4-10(5-3-9)13(14)16/h2-8H,1H3,(H2,14,16)
• InChIKey: IVBVCUMTRUTIMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-methoxypyridin-3-yl)benzamide
• IUPAC Traditional name: 4-(5-methoxypyridin-3-yl)benzamide
• Synonyms: 4-(5-methoxypyridin-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.367966
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0663036
• LogD (pH = 7.4): 1.0953811
• Log P: 1.0957677
• Molar Refractivity: 64.5789 cm^3
• Polarizability: 25.732841 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.59
• LOG S: -2.22
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3