N-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide
Basic information
- CAS
329935-76-4- Standard SMILES
O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)c1ccncc1- InChIKey
JMHGEUVOQANZLU-UIZJRPAISA-N- Molecular formula
- C15H12N4O3
- Average molar mass
- 296.28 g/mol
- Monoisotopic mass
- 296.09094026
Names & identifiers
- Preferred name
- N-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide
- IUPAC
- N-[(E)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide
- English name
- N'-[(1E,2E)-3-(4-nitrophenyl)prop-2-en-1-ylidene]pyridine-4-carbohydrazide
- Molecular formula
- C15H12N4O3
- Molecular weight
- 296.28
Names & synonyms
5230-33-1N-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamideSCHEMBL12443172STK048203AKOS005385077N'-[(1E,2E)-3-(4-nitrophenyl)prop-2-en-1-ylidene]pyridine-4-carbohydrazideST010257SR-01000199771SR-01000199771-1ISONICOTINIC ACID (3-(4-NITRO-PHENYL)-ALLYLIDENE)-HYDRAZIDEN-[(1E,3E)-4-(4-nitrophenyl)-1-azabuta-1,3-dienyl]-4-pyridylcarboxamide4-Pyridinecarboxylic acid, 2-[3-(4-nitrophenyl)-2-propen-1-ylidene]hydrazide
Database identifiers
- CAS
329935-76-4- PubChem CID
- 5331345
- EC Number
- 167-402-7
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 10.79 · 10.79±0.46(Predicted)
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Compound notes
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