1-methyl-N-(pyridin-3-yl)-1H-indole-3-carboxamide

• ChemBase ID: 223245
• Molecular Formular: C15H13N3O
• Molecular Mass: 251.28322
• Monoisotopic Mass: 251.10586205
• SMILES: c1(cn(c2c1cccc2)C)C(=O)Nc1cnccc1
• Canonical SMILES: O=C(c1cn(c2c1cccc2)C)Nc1cccnc1
• InChI: InChI=1S/C15H13N3O/c1-18-10-13(12-6-2-3-7-14(12)18)15(19)17-11-5-4-8-16-9-11/h2-10H,1H3,(H,17,19)
• InChIKey: FFTMFCXCDVVSQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279155
• PubChem CID: 25343972

CALCULATED PROPERTIES

• Acid pKa: 10.864752
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1419642
• LogD (pH = 7.4): 2.1690454
• Log P: 2.1698964
• Molar Refractivity: 75.4178 cm^3
• Polarizability: 29.03455 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds