N-{1H-pyrrolo[2,3-c]pyridin-5-yl}benzamide

• ChemBase ID: 313060
• Molecular Formular: C14H11N3O
• Molecular Mass: 237.25664
• Monoisotopic Mass: 237.09021199
• SMILES: c1cccc(c1)C(=O)Nc1cc2c(cn1)[nH]cc2
• Canonical SMILES: O=C(c1ccccc1)Nc1ncc2c(c1)cc[nH]2
• InChI: InChI=1S/C14H11N3O/c18-14(10-4-2-1-3-5-10)17-13-8-11-6-7-15-12(11)9-16-13/h1-9,15H,(H,16,17,18)
• InChIKey: HWJRIFZDXJKJJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1H-pyrrolo[2,3-c]pyridin-5-yl}benzamide
• IUPAC Traditional name: N-{1H-pyrrolo[2,3-c]pyridin-5-yl}benzamide
• Synonyms: Oct4-activating Compound 1; OAC1

Database IDs

• CAS Number: 300586-90-7

CALCULATED PROPERTIES

• Acid pKa: 13.213385
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.5393705
• LogD (pH = 7.4): 2.5406606
• Log P: 2.5406778
• Molar Refractivity: 70.8346 cm^3
• Polarizability: 27.279686 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Free Base