Basic information
- Standard SMILES
CCOC(=O)C(C#N)=CNc1ccc(C)nc1- InChIKey
SJWSIQOQLAXLHX-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
Names & identifiers
- Preferred name
- 2-Cyano-3-(6-methyl-pyridin-3-ylamino)-acrylic acid ethyl ester
- IUPAC
- ethyl 2-cyano-3-[(6-methyl-3-pyridinyl)amino]prop-2-enoate
Names & synonyms
SCHEMBL3375510SJWSIQOQLAXLHX-UHFFFAOYSA-N2-cyano-3-(6-methyl-pyridin-3-ylamino)-acrylic acid ethyl ester
Database identifiers
- PubChem CID
- 721998
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 343
Related reactions
2 records
Compound notes
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