N-(6-methoxypyridin-3-yl)-1-methyl-1H-indole-5-carboxamide

• ChemBase ID: 225374
• Molecular Formular: C16H15N3O2
• Molecular Mass: 281.3092
• Monoisotopic Mass: 281.11642674
• SMILES: n1(c2c(cc1)cc(C(=O)Nc1cnc(cc1)OC)cc2)C
• Canonical SMILES: COc1ccc(cn1)NC(=O)c1ccc2c(c1)ccn2C
• InChI: InChI=1S/C16H15N3O2/c1-19-8-7-11-9-12(3-5-14(11)19)16(20)18-13-4-6-15(21-2)17-10-13/h3-10H,1-2H3,(H,18,20)
• InChIKey: CQPJYLOVMNEYKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxypyridin-3-yl)-1-methyl-1H-indole-5-carboxamide
• IUPAC Traditional name: N-(6-methoxypyridin-3-yl)-1-methylindole-5-carboxamide

Database IDs

• PubChem SID: 164281284
• PubChem CID: 56763579

CALCULATED PROPERTIES

• Acid pKa: 11.00536
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.606533
• LogD (pH = 7.4): 2.606577
• Log P: 2.6066825
• Molar Refractivity: 82.1945 cm^3
• Polarizability: 31.528107 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