[2-[2-[1-(4-Acetylanilino)-1-oxo-3-pyridin-2-ylpropan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
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Basic information
- Standard SMILES
CC(=O)c1ccc(NC(=O)C(Cc2ccccn2)=NNC(=O)C[N+](C)(C)C)cc1- InChIKey
BQHOCYHBVRHGRF-UHFFFAOYSA-O- Molecular formula
- C21H26N5O3+
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.20356471
Names & identifiers
- Preferred name
- [2-[2-[1-(4-Acetylanilino)-1-oxo-3-pyridin-2-ylpropan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
- IUPAC
- [2-[2-[1-(4-acetylanilino)-1-oxo-3-pyridin-2-ylpropan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
Names & synonyms
NCI60_014262
Database identifiers
- PubChem CID
- 369864
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 1
- Complexity
- 618
Related reactions
0 records
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Compound notes
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