(2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

C17H16ClN3O2 — CID 95346327

IUPAC(2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H]1c1cccnc1
InChIInChI=1S/C17H16ClN3O2/c1-21-15(22)9-14(16(21)11-4-3-7-19-10-11)17(23)20-13-6-2-5-12(18)8-13/h2-8,10,14,16H,9H2,1H3,(H,20,23)/t14-,16-/m1/s1
InChIKeyHQLBHGUADATGGI-GDBMZVCRSA-N
MW329.79 g/mol
LogP2.89
Rot. Bonds3

About (2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

(2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 95346327) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is (2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID95346327
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name(2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H]1c1cccnc1
InChIInChI=1S/C17H16ClN3O2/c1-21-15(22)9-14(16(21)11-4-3-7-19-10-11)17(23)20-13-6-2-5-12(18)8-13/h2-8,10,14,16H,9H2,1H3,(H,20,23)/t14-,16-/m1/s1
InChIKeyHQLBHGUADATGGI-GDBMZVCRSA-N
XLogP2.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-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

Related Compounds

(2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 95326972
methyl (3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
CID 58291565
(2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 124505381
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
2-[(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119348829
(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 98005945
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 16744276
(2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 97027555
(2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 95967290
(2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 136584447
(2S,3S)-2-(3-chlorophenyl)-1-methyl-5-oxo-N'-pyrimidin-2-ylpyrrolidine-3-carbohydrazide
CID 95628484

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (CID 95346327) is (2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is CN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H]1c1cccnc1.
What is the InChIKey of (2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is HQLBHGUADATGGI-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-21-15(22)9-14(16(21)11-4-3-7-19-10-11)17(23)20-13-6-2-5-12(18)8-13/h2-8,10,14,16H,9H2,1H3,(H,20,23)/t14-,16-/m1/s1.
What are the key properties of (2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
(2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95346327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).