5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C20H23N3O2 — CID 113186549

IUPAC5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1N1CC(C(=O)NCc2ccccn2)CC1=O
InChIInChI=1S/C20H23N3O2/c1-14(2)17-8-3-4-9-18(17)23-13-15(11-19(23)24)20(25)22-12-16-7-5-6-10-21-16/h3-10,14-15H,11-13H2,1-2H3,(H,22,25)
InChIKeyPOYGPBGWNYCANJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.87
Rot. Bonds5

About 5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 113186549) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID113186549
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1N1CC(C(=O)NCc2ccccn2)CC1=O
InChIInChI=1S/C20H23N3O2/c1-14(2)17-8-3-4-9-18(17)23-13-15(11-19(23)24)20(25)22-12-16-7-5-6-10-21-16/h3-10,14-15H,11-13H2,1-2H3,(H,22,25)
InChIKeyPOYGPBGWNYCANJ-UHFFFAOYSA-N
XLogP2.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-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

(3S)-5-oxo-1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93018322
1-(2,6-dichlorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191249
1-(2-morpholin-4-ylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113189989
N-[(4-chlorophenyl)methyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186544
1-butan-2-yl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182112
1-(2,6-difluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113192245
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
N-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186565
1-[3-(difluoromethyl)phenyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 166541592
1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191430
5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186572
(3S)-1-(4-bromo-3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 25348516

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 113186549) is 5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is CC(C)c1ccccc1N1CC(C(=O)NCc2ccccn2)CC1=O.
What is the InChIKey of 5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is POYGPBGWNYCANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)17-8-3-4-9-18(17)23-13-15(11-19(23)24)20(25)22-12-16-7-5-6-10-21-16/h3-10,14-15H,11-13H2,1-2H3,(H,22,25).
What are the key properties of 5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113186549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).