1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C20H20F3N3O2 — CID 71685030

IUPAC1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)N(CC(F)(F)F)c3ccccn3)CC2=O)cc1
InChIInChI=1S/C20H20F3N3O2/c1-2-14-6-8-16(9-7-14)25-12-15(11-18(25)27)19(28)26(13-20(21,22)23)17-5-3-4-10-24-17/h3-10,15H,2,11-13H2,1H3
InChIKeyYGNALTKPDGMOLK-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.59
Rot. Bonds5

About 1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 71685030) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID71685030
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)N(CC(F)(F)F)c3ccccn3)CC2=O)cc1
InChIInChI=1S/C20H20F3N3O2/c1-2-14-6-8-16(9-7-14)25-12-15(11-18(25)27)19(28)26(13-20(21,22)23)17-5-3-4-10-24-17/h3-10,15H,2,11-13H2,1H3
InChIKeyYGNALTKPDGMOLK-UHFFFAOYSA-N
XLogP3.59
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 17310597
(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9388957
(3S)-1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9389070
1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 17081991
N-(3-chloro-2-pyridinyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75398639
(3S)-1-(4-ethylphenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 9390002
(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6922046
(3R)-N,N-bis(cyanomethyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388753
N-ethyl-N-(2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080533
(3S)-1-(4-ethylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 1088262
N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082044
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 71685030) is 1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)N(CC(F)(F)F)c3ccccn3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is YGNALTKPDGMOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-2-14-6-8-16(9-7-14)25-12-15(11-18(25)27)19(28)26(13-20(21,22)23)17-5-3-4-10-24-17/h3-10,15H,2,11-13H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-oxo-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71685030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).