N-(1H-indol-4-yl)pyridine-3-carboxamide

• ChemBase ID: 225658
• Molecular Formular: C14H11N3O
• Molecular Mass: 237.25664
• Monoisotopic Mass: 237.09021199
• SMILES: C(=O)(Nc1c2c([nH]cc2)ccc1)c1cnccc1
• Canonical SMILES: O=C(c1cccnc1)Nc1cccc2c1cc[nH]2
• InChI: InChI=1S/C14H11N3O/c18-14(10-3-2-7-15-9-10)17-13-5-1-4-12-11(13)6-8-16-12/h1-9,16H,(H,17,18)
• InChIKey: SWSKOSCQPSUODP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281568
• PubChem CID: 71753437

CALCULATED PROPERTIES

• Acid pKa: 10.909249
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9422773
• LogD (pH = 7.4): 1.9460425
• Log P: 1.9462202
• Molar Refractivity: 70.5211 cm^3
• Polarizability: 27.264544 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds