2-amino-N-(6-methoxypyridin-3-yl)benzamide

• ChemBase ID: 266886
• Molecular Formular: C13H13N3O2
• Molecular Mass: 243.26122
• Monoisotopic Mass: 243.10077667
• SMILES: C(=O)(c1c(N)cccc1)Nc1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)NC(=O)c1ccccc1N
• InChI: InChI=1S/C13H13N3O2/c1-18-12-7-6-9(8-15-12)16-13(17)10-4-2-3-5-11(10)14/h2-8H,14H2,1H3,(H,16,17)
• InChIKey: IOSOQMDKQXGSCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(6-methoxypyridin-3-yl)benzamide
• IUPAC Traditional name: 2-amino-N-(6-methoxypyridin-3-yl)benzamide
• Synonyms: 2-amino-N-(6-methoxypyridin-3-yl)benzamide

Database IDs

• MDL Number: MFCD09739779
• PubChem SID: 164322796
• PubChem CID: 16792972

CALCULATED PROPERTIES

• Acid pKa: 11.279738
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1049867
• LogD (pH = 7.4): 2.1052592
• Log P: 2.1053185
• Molar Refractivity: 70.9117 cm^3
• Polarizability: 25.704456 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): 2.513

Product Information

• Purity: 95%