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

• ChemBase ID: 224294
• Molecular Formular: C17H13N3O
• Molecular Mass: 275.30462
• Monoisotopic Mass: 275.10586205
• SMILES: c1(C(=O)Nc2cc3c([nH]cc3)cc2)c[nH]c2c1cccc2
• Canonical SMILES: O=C(c1c[nH]c2c1cccc2)Nc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C17H13N3O/c21-17(14-10-19-16-4-2-1-3-13(14)16)20-12-5-6-15-11(9-12)7-8-18-15/h1-10,18-19H,(H,20,21)
• InChIKey: CBPSWDLZZNFVNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164280204
• PubChem CID: 51052270

CALCULATED PROPERTIES

• Acid pKa: 11.171459
• H Acceptors: 1
• H Donor: 3
• LogD (pH = 5.5): 3.2626538
• LogD (pH = 7.4): 3.2625847
• Log P: 3.2626545
• Molar Refractivity: 83.7645 cm^3
• Polarizability: 33.451797 Å^3
• Polar Surface Area: 60.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds