N-(6-methoxypyridin-3-yl)-1-methyl-1H-indole-3-carboxamide

• ChemBase ID: 225514
• Molecular Formular: C16H15N3O2
• Molecular Mass: 281.3092
• Monoisotopic Mass: 281.11642674
• SMILES: c1(cn(c2c1cccc2)C)C(=O)Nc1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)NC(=O)c1cn(c2c1cccc2)C
• InChI: InChI=1S/C16H15N3O2/c1-19-10-13(12-5-3-4-6-14(12)19)16(20)18-11-7-8-15(21-2)17-9-11/h3-10H,1-2H3,(H,18,20)
• InChIKey: CXPAXGKXSXEMOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxypyridin-3-yl)-1-methyl-1H-indole-3-carboxamide
• IUPAC Traditional name: N-(6-methoxypyridin-3-yl)-1-methylindole-3-carboxamide

Database IDs

• PubChem SID: 164281424
• PubChem CID: 9210904

CALCULATED PROPERTIES

• Acid pKa: 10.7714815
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6065314
• LogD (pH = 7.4): 2.606503
• Log P: 2.6066825
• Molar Refractivity: 82.1945 cm^3
• Polarizability: 31.536156 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds