1-methyl-N-(1-methyl-1H-indol-4-yl)-1H-indole-6-carboxamide

• ChemBase ID: 225187
• Molecular Formular: C19H17N3O
• Molecular Mass: 303.35778
• Monoisotopic Mass: 303.13716218
• SMILES: c12ccn(c1cccc2NC(=O)c1cc2n(ccc2cc1)C)C
• Canonical SMILES: O=C(c1ccc2c(c1)n(C)cc2)Nc1cccc2c1ccn2C
• InChI: InChI=1S/C19H17N3O/c1-21-11-9-15-16(4-3-5-17(15)21)20-19(23)14-7-6-13-8-10-22(2)18(13)12-14/h3-12H,1-2H3,(H,20,23)
• InChIKey: IXMUPWNOCRUKKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-(1-methyl-1H-indol-4-yl)-1H-indole-6-carboxamide
• IUPAC Traditional name: 1-methyl-N-(1-methylindol-4-yl)indole-6-carboxamide

Database IDs

• PubChem SID: 164281097
• PubChem CID: 56723745

CALCULATED PROPERTIES

• Acid pKa: 11.298514
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.710006
• LogD (pH = 7.4): 3.7099545
• Log P: 3.7100067
• Molar Refractivity: 93.5579 cm^3
• Polarizability: 36.97234 Å^3
• Polar Surface Area: 38.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds