Basic information
- Standard SMILES
CCCCc1cccnc1NC=C(C#N)C(=O)OCC- InChIKey
GSHGRRJCHSGFBZ-UHFFFAOYSA-N- Molecular formula
- C15H19N3O2
- Average molar mass
- 273.33 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-cyano-3-(3-n-butyl-2-pyridylamino)acrylate
- IUPAC
- ethyl 3-[(3-butyl-2-pyridinyl)amino]-2-cyanoprop-2-enoate
Names & synonyms
SCHEMBL11110002GSHGRRJCHSGFBZ-UHFFFAOYSA-NEthyl 2-cyano-3-(3-n-butyl-2-pyridylamino)acrylate
Database identifiers
- PubChem CID
- 70514726
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 384
Related reactions
3 records
Compound notes
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