N'-[(3Z)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]pyridine-3-carbohydrazide

• ChemBase ID: 262343
• Molecular Formular: C15H12N4O2
• Molecular Mass: 280.28138
• Monoisotopic Mass: 280.09602564
• SMILES: C\1(=N/NC(=O)c2cnccc2)/C(=O)N(c2c1cccc2)C
• Canonical SMILES: O=C(c1cccnc1)N/N=C/1\C(=O)N(c2c1cccc2)C
• InChI: InChI=1S/C15H12N4O2/c1-19-12-7-3-2-6-11(12)13(15(19)21)17-18-14(20)10-5-4-8-16-9-10/h2-9H,1H3,(H,18,20)/b17-13-
• InChIKey: LCOXNTUQQVVXOM-LGMDPLHJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(3Z)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]pyridine-3-carbohydrazide
• IUPAC Traditional name: N'-[(3Z)-1-methyl-2-oxoindol-3-ylidene]pyridine-3-carbohydrazide
• Synonyms: N'-[(3Z)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]pyridine-3-carbohydrazide

Database IDs

• MDL Number: MFCD00565855
• PubChem SID: 164318253
• PubChem CID: 6890232

CALCULATED PROPERTIES

• Acid pKa: 9.602192
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.871321
• LogD (pH = 7.4): 0.8728629
• Log P: 0.8753238
• Molar Refractivity: 77.0275 cm^3
• Polarizability: 28.576313 Å^3
• Polar Surface Area: 74.66 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195 - 197°C
• Hydrophobicity(logP): 1.6

Product Information

• Purity: 95%