Basic information
- Standard SMILES
CCOC(=O)C(NC(=O)c1cnc(Cl)cc1NC(C)C)C(C)=O- InChIKey
HUIXIEKQFSZTCB-UHFFFAOYSA-N- Molecular formula
- C15H20ClN3O4
- Average molar mass
- 341.79 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(6-chloro-4-(isopropylamino)nicotinamido)-3-oxobutanoate
- IUPAC
- ethyl 2-[[6-chloro-4-(propan-2-ylamino)pyridine-3-carbonyl]amino]-3-oxobutanoate
Names & synonyms
SCHEMBL15109902HUIXIEKQFSZTCB-UHFFFAOYSA-Nethyl 2-(6-chloro-4-(isopropylamino)nicotinamido)-3-oxobutanoate
Database identifiers
- PubChem CID
- 89689546
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
Related reactions
6 records
Compound notes
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