N-(but-2-enylideneamino)pyridine-4-carboxamide
Basic information
- CAS
7007-96-7- Standard SMILES
CC=CC=NNC(=O)c1ccncc1- InChIKey
YLWYNCPRXFCNLQ-UHFFFAOYSA-N- Molecular formula
- C10H11N3O
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.09021198
Overview
See also: Crotoniazide (annotation moved to).
Names & identifiers
- Preferred name
- N-(but-2-enylideneamino)pyridine-4-carboxamide
- IUPAC
- N-(but-2-enylideneamino)pyridine-4-carboxamide
- English name
- Crotoniazide
- Molecular weight
- 189.21
Names & synonyms
7007-96-7N-(but-2-enylideneamino)pyridine-4-carboxamideDSSTox_GSID_46113orb2564482SCHEMBL2997626CHEMBL2358105HMS3373L02NS00124129N'-(but-2-en-1-ylidene)pyridine-4-carbohydrazideCrotoniazideN'-(2-Butenylidene)isonicotinic hydrazide4-Pyridinecarboxylic acid 2-(2-butenylidene) hydrazide
Database identifiers
- CAS
7007-96-7- PubChem CID
- 5360232
- DTXSID
DTXSID8046113- ChEMBL
CHEMBL2358105
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 187 · 187-190 °C
- Density
- 1.078 · 1.078±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.041 · 11.041±0.46(predicted)
- FDA UNII
- 4 DT7VL6FU · C4DT7VL6FU
Chemistry & industry
Applications
UsesCrotoniazide (compound 9) is an isonicotinic acid hydrazide derivative with anti-HIV potential with an EC50 value of 11 ug/mL[1].
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Related reactions
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Compound notes
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