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

• ChemBase ID: 223466
• Molecular Formular: C18H15N3O
• Molecular Mass: 289.3312
• Monoisotopic Mass: 289.12151212
• SMILES: c1(cn(c2c1cccc2)C)C(=O)Nc1cc2c([nH]cc2)cc1
• Canonical SMILES: O=C(c1cn(c2c1cccc2)C)Nc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C18H15N3O/c1-21-11-15(14-4-2-3-5-17(14)21)18(22)20-13-6-7-16-12(10-13)8-9-19-16/h2-11,19H,1H3,(H,20,22)
• InChIKey: IVXDCLKMRMQJCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279376
• PubChem CID: 49652249

CALCULATED PROPERTIES

• Acid pKa: 11.161955
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 3.4863298
• LogD (pH = 7.4): 3.4862592
• Log P: 3.4863307
• Molar Refractivity: 88.6612 cm^3
• Polarizability: 35.213135 Å^3
• Polar Surface Area: 49.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds