5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide

C16H15N3O2 — CID 6497256

IUPAC5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccncc1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H15N3O2/c20-15-10-12(11-19(15)14-4-2-1-3-5-14)16(21)18-13-6-8-17-9-7-13/h1-9,12H,10-11H2,(H,17,18,21)
InChIKeyXDPGWVBSFAYYJQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.07
Rot. Bonds3

About 5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide

5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide (PubChem CID 6497256) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
PubChem CID6497256
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccncc1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H15N3O2/c20-15-10-12(11-19(15)14-4-2-1-3-5-14)16(21)18-13-6-8-17-9-7-13/h1-9,12H,10-11H2,(H,17,18,21)
InChIKeyXDPGWVBSFAYYJQ-UHFFFAOYSA-N
XLogP2.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide (CID 6497256) is 5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide is O=C(Nc1ccncc1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is XDPGWVBSFAYYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15-10-12(11-19(15)14-4-2-1-3-5-14)16(21)18-13-6-8-17-9-7-13/h1-9,12H,10-11H2,(H,17,18,21).
What are the key properties of 5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide?
5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6497256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).