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

• ChemBase ID: 225501
• Molecular Formular: C18H15N3O
• Molecular Mass: 289.3312
• Monoisotopic Mass: 289.12151212
• SMILES: c12n(ccc2ccc(C(=O)Nc2c3c([nH]cc3)ccc2)c1)C
• Canonical SMILES: O=C(c1ccc2c(c1)n(C)cc2)Nc1cccc2c1cc[nH]2
• InChI: InChI=1S/C18H15N3O/c1-21-10-8-12-5-6-13(11-17(12)21)18(22)20-16-4-2-3-15-14(16)7-9-19-15/h2-11,19H,1H3,(H,20,22)
• InChIKey: HFSHOJPGSWBLFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281411
• PubChem CID: 56763693

CALCULATED PROPERTIES

• Acid pKa: 11.319634
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 3.48633
• LogD (pH = 7.4): 3.486281
• Log P: 3.4863307
• Molar Refractivity: 88.6612 cm^3
• Polarizability: 35.210846 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