Basic information
- Standard SMILES
C[S@@](=O)(=NC(=O)c1cncc(C#Cc2ccc(O)nc2)c1)c1ccccc1- InChIKey
WDUPEEGBJNDPGS-MHZLTWQESA-N- Molecular formula
- C20H15N3O3S
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.08341252
Names & identifiers
- Preferred name
- (S)-5-[(6-hydroxypyridin-3-yl)ethynyl]-N-[methyl(oxo)phenyl-lambda6-sulfanylidene]nicotinamide
- IUPAC
- N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]pyridine-3-carboxamide
Names & synonyms
SCHEMBL834694WDUPEEGBJNDPGS-MHZLTWQESA-N(S)-5-[(6-hydroxypyridin-3-yl)ethynyl]-N-[methyl(oxo)phenyl-lambda6-sulfanylidene]nicotinamide
Database identifiers
- PubChem CID
- 24954548
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 846
Related reactions
3 records
Compound notes
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