2-methoxy-5-(pyridin-4-yl)benzamide

• ChemBase ID: 398530
• Molecular Formular: C13H12N2O2
• Molecular Mass: 228.24658
• Monoisotopic Mass: 228.08987763
• SMILES: c1(cc(ccc1OC)c1ccncc1)C(=O)N
• Canonical SMILES: COc1ccc(cc1C(=O)N)c1ccncc1
• InChI: InChI=1S/C13H12N2O2/c1-17-12-3-2-10(8-11(12)13(14)16)9-4-6-15-7-5-9/h2-8H,1H3,(H2,14,16)
• InChIKey: QEYUQXQAUUYZDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(pyridin-4-yl)benzamide
• IUPAC Traditional name: 2-methoxy-5-(pyridin-4-yl)benzamide
• Synonyms: 2-methoxy-5-pyridin-4-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.704967
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.96352434
• LogD (pH = 7.4): 1.0937443
• Log P: 1.0957677
• Molar Refractivity: 64.5789 cm^3
• Polarizability: 25.72811 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: 1.24
• LOG S: -1.92
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3