Basic information
- Standard SMILES
COc1nc(C=CC(N)=O)ccc1-n1cnc(C)c1- InChIKey
SHNNWDYMABLHKX-UHFFFAOYSA-N- Molecular formula
- C13H14N4O2
- Average molar mass
- 258.28 g/mol
- Monoisotopic mass
- 258.1116757
Names & identifiers
- Preferred name
- 3-[6-Methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide
- IUPAC
- 3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide
Names & synonyms
SCHEMBL909164
Database identifiers
- PubChem CID
- 66839445
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Related reactions
4 records
Compound notes
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