1-methyl-N-(1-methyl-1H-indol-4-yl)-1H-indole-3-carboxamide

• ChemBase ID: 225147
• Molecular Formular: C19H17N3O
• Molecular Mass: 303.35778
• Monoisotopic Mass: 303.13716218
• SMILES: c1(cn(c2c1cccc2)C)C(=O)Nc1c2ccn(c2ccc1)C
• Canonical SMILES: O=C(c1cn(c2c1cccc2)C)Nc1cccc2c1ccn2C
• InChI: InChI=1S/C19H17N3O/c1-21-11-10-14-16(7-5-9-18(14)21)20-19(23)15-12-22(2)17-8-4-3-6-13(15)17/h3-12H,1-2H3,(H,20,23)
• InChIKey: SPXWVBXDUKSVPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-(1-methyl-1H-indol-4-yl)-1H-indole-3-carboxamide
• IUPAC Traditional name: 1-methyl-N-(1-methylindol-4-yl)indole-3-carboxamide

Database IDs

• PubChem SID: 164281057
• PubChem CID: 56723711

CALCULATED PROPERTIES

• Acid pKa: 11.086578
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.7100058
• LogD (pH = 7.4): 3.7099218
• Log P: 3.7100067
• Molar Refractivity: 93.5579 cm^3
• Polarizability: 36.977478 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