N-(6-aminopyridin-3-yl)-4-methoxybenzamide

• ChemBase ID: 240289
• Molecular Formular: C13H13N3O2
• Molecular Mass: 243.26122
• Monoisotopic Mass: 243.10077667
• SMILES: C(=O)(Nc1cnc(N)cc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)Nc1ccc(nc1)N
• InChI: InChI=1S/C13H13N3O2/c1-18-11-5-2-9(3-6-11)13(17)16-10-4-7-12(14)15-8-10/h2-8H,1H3,(H2,14,15)(H,16,17)
• InChIKey: NBVHIBAFSOHCLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-aminopyridin-3-yl)-4-methoxybenzamide
• IUPAC Traditional name: N-(6-aminopyridin-3-yl)-4-methoxybenzamide
• Synonyms: N-(6-aminopyridin-3-yl)-4-methoxybenzamide

Database IDs

• MDL Number: MFCD18038199
• PubChem SID: 164296199
• PubChem CID: 62899754

CALCULATED PROPERTIES

• Acid pKa: 12.018989
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.95302236
• LogD (pH = 7.4): 1.441941
• Log P: 1.4553185
• Molar Refractivity: 70.9117 cm^3
• Polarizability: 25.697865 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.776

Product Information

• Purity: 95%