N'-{[1-(3,4-Dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}pyridine-3-carbohydrazide
Basic information
- CAS
5950-96-9- Standard SMILES
Cc1ccc(-n2c(C)cc(C=NNC(=O)c3cccnc3)c2C)cc1C- InChIKey
OHMCIYPRGQJLEW-UHFFFAOYSA-N- Molecular formula
- C21H22N4O
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.17936134
Names & identifiers
- Preferred name
- N'-{[1-(3,4-Dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}pyridine-3-carbohydrazide
- IUPAC
- N-[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide
Names & synonyms
5950-96-9N'-{[1-(3,4-Dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}pyridine-3-carbohydrazideN-[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamideCBMicro_038689DTXSID10357971
Database identifiers
- CAS
5950-96-9- PubChem CID
- 873476
- DTXSID
DTXSID10357971
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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