Basic information
- CAS
330987-70-7- Standard SMILES
O=C(N/N=C/C=C/c1cccc([N+](=O)[O-])c1)c1ccncc1- InChIKey
ALVBNBDHRRMTDX-RJMXLKIRSA-N- Molecular formula
- C15H12N4O3
- Average molar mass
- 296.28 g/mol
- Monoisotopic mass
- 296.09094026
Names & identifiers
- Preferred name
- N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide
- IUPAC
- N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide
Names & synonyms
N'-[(1E,2E)-3-(3-nitrophenyl)prop-2-en-1-ylidene]pyridine-4-carbohydrazideN-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide330987-70-7MLS000768519CHEMBL1981546DTXSID901329412STK014499AKOS005377317SMR000431853(E)-N'-((E)-3-(3-nitrophenyl)allylidene)isonicotinohydrazideIsonicotinic acid [(E)-3-(3-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide
Database identifiers
- CAS
330987-70-7- PubChem CID
- 6887948
- DTXSID
DTXSID901329412- ChEMBL
CHEMBL1981546
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
- 439
Experimental & physicochemical properties
Solubility1.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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