1-(4-chlorophenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
Basic information
- CAS
364744-26-3- Standard SMILES
O=C(NCc1cccnc1)C1CC(=O)N(c2ccc(Cl)cc2)C1- InChIKey
FMIPNPPHICVVNA-UHFFFAOYSA-N- Molecular formula
- C17H16ClN3O2
- Average molar mass
- 329.8 g/mol
Names & identifiers
- Preferred name
- 1-(4-chlorophenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
- IUPAC
- 1-(4-chlorophenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
- English name
- 1-(4-chlorophenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
- Molecular formula
- C17H16ClN3O2
- Molecular weight
- 329.78
Names & synonyms
1-(4-chlorophenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide364744-26-3CBKinase1_002459CBKinase1_014859Cambridge id 7112448Oprea1_217069MLS000062580CHEMBL1482222HMS2354P15HMS5165N05STK054027AKOS000340438
Show more names
3-Pyrrolidinecarboxamide, 1-(4-chlorophenyl)-5-oxo-N-(3-pyridinylmethyl)-
AKOS016400801SMR000071590BRD-A46232287-001-01-41-(4-chlorophenyl)-5-oxo-N-(3-pyridinylmethyl)-3-pyrrolidinecarboxamide1-(4-CHLOROPHENYL)-5-OXO-N-(3-PYRIDYLMETHYL)-3-PYRROLIDINECARBOXAMIDE
Database identifiers
- CAS
364744-26-3- ChEMBL
CHEMBL1482222
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Boiling point
- 683.7 · 683.7±55.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- pka
- 13.86 · 13.86±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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