N'-phenylpyridine-4-carbohydrazide

• ChemBase ID: 313064
• Molecular Formular: C12H11N3O
• Molecular Mass: 213.23524
• Monoisotopic Mass: 213.09021199
• SMILES: c1cc(ccn1)C(=O)NNc1ccccc1
• Canonical SMILES: O=C(c1ccncc1)NNc1ccccc1
• InChI: InChI=1S/C12H11N3O/c16-12(10-6-8-13-9-7-10)15-14-11-4-2-1-3-5-11/h1-9,14H,(H,15,16)
• InChIKey: HUDWXDLBWRHCKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-phenylpyridine-4-carbohydrazide
• IUPAC Traditional name: N'-phenylpyridine-4-carbohydrazide
• Synonyms: PluriSIn #1 (NSC 14613)

Database IDs

• CAS Number: 91396-88-2

CALCULATED PROPERTIES

• Acid pKa: 12.720304
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.706482
• LogD (pH = 7.4): 1.7083905
• Log P: 1.7084168
• Molar Refractivity: 62.6601 cm^3
• Polarizability: 22.990566 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Dehydrogenase

Product Information

• Salt Data: Free Base