Basic information
- Standard SMILES
Cc1cnc(NCCc2ccccn2)c(=O)n1NC(=O)CCc1cccc(Cl)c1- InChIKey
RWODHYBFLPQMMN-UHFFFAOYSA-N- Molecular formula
- C21H22ClN5O2
- Average molar mass
- 411.9 g/mol
- Monoisotopic mass
- 411.1462027
Names & identifiers
- Preferred name
- 3-[2-(2-Pyridyl)ethylamino]-6-Methyl-1-(3-chlorobenzylacetamido)-2-Pyrazinone
- IUPAC
- 3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide
Names & synonyms
SCHEMBL7819143RWODHYBFLPQMMN-UHFFFAOYSA-N3-[2-(2-Pyridyl)ethylamino]-6-Methyl-1-(3-chlorobenzylacetamido)-2-Pyrazinone
Database identifiers
- PubChem CID
- 70197482
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 651
Related reactions
1 records
Compound notes
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