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

• ChemBase ID: 227998
• Molecular Formular: C17H17N3O3
• Molecular Mass: 311.33518
• Monoisotopic Mass: 311.12699142
• SMILES: c1(c2c(n(c1)C)ccc(c2)OC)C(=O)Nc1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)NC(=O)c1cn(c2c1cc(OC)cc2)C
• InChI: InChI=1S/C17H17N3O3/c1-20-10-14(13-8-12(22-2)5-6-15(13)20)17(21)19-11-4-7-16(23-3)18-9-11/h4-10H,1-3H3,(H,19,21)
• InChIKey: LSHGQMYPTLVOMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283908
• PubChem CID: 71755116

CALCULATED PROPERTIES

• Acid pKa: 10.932212
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4488616
• LogD (pH = 7.4): 2.4488866
• Log P: 2.4490113
• Molar Refractivity: 88.6577 cm^3
• Polarizability: 34.04597 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds