5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide

C22H27N3O2 — CID 72854717

IUPAC5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(CCNC(=O)C2CC(=O)N(Cc3ccncc3)C2)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-15-10-16(2)20(17(3)11-15)6-9-24-22(27)19-12-21(26)25(14-19)13-18-4-7-23-8-5-18/h4-5,7-8,10-11,19H,6,9,12-14H2,1-3H3,(H,24,27)
InChIKeyCTNRLEQNFWFOPX-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.71
Rot. Bonds6

About 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide

5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 72854717) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID72854717
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(CCNC(=O)C2CC(=O)N(Cc3ccncc3)C2)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-15-10-16(2)20(17(3)11-15)6-9-24-22(27)19-12-21(26)25(14-19)13-18-4-7-23-8-5-18/h4-5,7-8,10-11,19H,6,9,12-14H2,1-3H3,(H,24,27)
InChIKeyCTNRLEQNFWFOPX-UHFFFAOYSA-N
XLogP2.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]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

N-[2-(3,5-difluorophenyl)ethyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 74234232
(3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97267996
N-[2-(2-fluorophenyl)ethyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72936643
N-[2-(3-chlorophenyl)ethyl]-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183307
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72860084
N-(3-acetamidophenyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113184138
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86907349
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 29261393
N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 39023396
(3R)-N-[3-(1,3-benzothiazol-2-yl)propyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97286304
N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72926887
N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 74237766

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide (CID 72854717) is 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide is Cc1cc(C)c(CCNC(=O)C2CC(=O)N(Cc3ccncc3)C2)c(C)c1.
What is the InChIKey of 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is CTNRLEQNFWFOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-10-16(2)20(17(3)11-15)6-9-24-22(27)19-12-21(26)25(14-19)13-18-4-7-23-8-5-18/h4-5,7-8,10-11,19H,6,9,12-14H2,1-3H3,(H,24,27).
What are the key properties of 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide?
5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 72854717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).