Basic information
- CAS
332099-39-5- Standard SMILES
NC(=O)c1ccccc1N=Cc1ccccn1- InChIKey
PIEITWHBCBZMKX-UHFFFAOYSA-N- Molecular formula
- C13H11N3O
- Average molar mass
- 225.25 g/mol
- Monoisotopic mass
- 225.09021198
Names & identifiers
- Preferred name
- 2-[(2-Pyridinylmethylene)amino]benzamide
- IUPAC
- 2-(pyridin-2-ylmethylideneamino)benzamide
Names & synonyms
2-[(2-pyridinylmethylene)amino]benzamide332099-39-52-((2-Pyridinylmethylene)amino)benzamideRefChem:2492652-(pyridin-2-ylmethylideneamino)benzamideMLS000027069CHEMBL1995218DTXSID301275556HMS2420B21STK0928702-(2'-pyridylmethylene)aminobenzamideAKOS000492762
Show more names
SMR000010007ST450395062-{[(Pyridin-2-yl)methylidene]amino}benzamide2-((1E)-2-(2-pyridyl)-1-azavinyl)benzamide2-{[(E)-pyridin-2-ylmethylidene]amino}benzamideAG-690/40722088SR-01000314609SR-01000314609-1
Database identifiers
- CAS
332099-39-5- PubChem CID
- 649249
- DTXSID
DTXSID301275556- ChEMBL
CHEMBL1995218
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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