2-Pyridinecarboxamide, 5-(((butylamino)thioxomethyl)amino)-
Basic information
- CAS
78273-14-0- Standard SMILES
CCCCNC(=S)Nc1ccc(C(N)=O)nc1- InChIKey
FZQWFYNUOQZWFB-UHFFFAOYSA-N- Molecular formula
- C11H16N4OS
- Average molar mass
- 252.34 g/mol
- Monoisotopic mass
- 252.10448232
Names & identifiers
- Preferred name
- 2-Pyridinecarboxamide, 5-(((butylamino)thioxomethyl)amino)-
- IUPAC
- 5-(butylcarbamothioylamino)pyridine-2-carboxamide
Names & synonyms
2-Pyridinecarboxamide, 5-(((butylamino)thioxomethyl)amino)-78273-14-0DTXSID102289355-[(Butylcarbamothioyl)amino]pyridine-2-carboxamide
Database identifiers
- CAS
78273-14-0- PubChem CID
- 3036804
- DTXSID
DTXSID10228935
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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