Basic information
- Standard SMILES
CCOC(=O)C(C(=O)N(Cc1ccc(Cl)nc1)c1ccccn1)c1ccccc1- InChIKey
KSFNCMDINLNAKT-UHFFFAOYSA-N- Molecular formula
- C22H20ClN3O3
- Average molar mass
- 409.9 g/mol
Names & identifiers
- Preferred name
- N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-N-(2-pyridinyl)malonamic acid ethyl ester
- IUPAC
- ethyl 3-[(6-chloro-3-pyridinyl)methyl-pyridin-2-ylamino]-3-oxo-2-phenylpropanoate
Names & synonyms
SCHEMBL2687122KSFNCMDINLNAKT-UHFFFAOYSA-NN-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-N-(2-pyridinyl)malonamic acid ethyl ester
Database identifiers
- PubChem CID
- 86649152
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 541
Related reactions
4 records
Compound notes
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