Basic information
- Standard SMILES
CCOC(=O)CC(NC(=O)C1CC(=O)N(c2cccc(N)c2)C1)c1cccnc1- InChIKey
JKZUKACEBCDQKS-UHFFFAOYSA-N- Molecular formula
- C21H24N4O4
- Average molar mass
- 396.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-{(1-(3-aminophenyl)-5-oxopyrrolidin-3-yl)carbonylamino}-3-(3-pyridyl)propanoate
- IUPAC
- ethyl 3-[[1-(3-aminophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoate
Names & synonyms
SCHEMBL6337924JKZUKACEBCDQKS-UHFFFAOYSA-Nethyl 3-{(1-(3-aminophenyl)-5-oxo pyrrolidin-3-yl)carbonylamino}-3-(3-pyridyl)propanoateethyl 3-{(1-(3-aminophenyl)-5-oxopyrrolidin-3-yl)carbonylamino}-3-(3-pyridyl)propanoateEthyl 3-{(l-(3-aminophenyl)-5-oxopyrrolidin-3-yl)carbonylamino}-3-(3-pyridyl)propanoate
Database identifiers
- PubChem CID
- 10200775
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 599
Related reactions
2 records
Compound notes
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