1-{[(3-Aminopyridin-2-yl)amino]methyl}-4-propylpyrrolidin-2-one
Basic information
- Standard SMILES
CCCC1CC(=O)N(CNc2ncccc2N)C1- InChIKey
GNVZRNZBCSKODC-UHFFFAOYSA-N- Molecular formula
- C13H20N4O
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.16371127
Names & identifiers
- Preferred name
- 1-{[(3-Aminopyridin-2-yl)amino]methyl}-4-propylpyrrolidin-2-one
- IUPAC
- 1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one
Names & synonyms
SCHEMBL1668217GNVZRNZBCSKODC-UHFFFAOYSA-N1-{[(3-aminopyridin-2-yl)amino]methyl}-4-propylpyrrolidin-2-one
Database identifiers
- PubChem CID
- 57743094
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Related reactions
8 records
Compound notes
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