5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C18H16F3N3O2 — CID 113184135

IUPAC5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)14-3-1-2-4-15(14)23-17(26)13-9-16(25)24(11-13)10-12-5-7-22-8-6-12/h1-8,13H,9-11H2,(H,23,26)
InChIKeyRCLFNNHDZULKKN-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.09
Rot. Bonds4

About 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 113184135) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID113184135
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)14-3-1-2-4-15(14)23-17(26)13-9-16(25)24(11-13)10-12-5-7-22-8-6-12/h1-8,13H,9-11H2,(H,23,26)
InChIKeyRCLFNNHDZULKKN-UHFFFAOYSA-N
XLogP3.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113183477
1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17396518
(3S)-1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide
CID 95247764
N-[2-(2-fluorophenyl)ethyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72936643
1-(2-ethylphenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 45020940
N-(3-acetamidophenyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113184138
(3S)-1-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767596
N-(2-iodophenyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55738631
1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24979026
(3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 25331872
N-[2-(3,5-difluorophenyl)ethyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 74234232
methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 41118744

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 113184135) is 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)C1CC(=O)N(Cc2ccncc2)C1.
What is the InChIKey of 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is RCLFNNHDZULKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-18(20,21)14-3-1-2-4-15(14)23-17(26)13-9-16(25)24(11-13)10-12-5-7-22-8-6-12/h1-8,13H,9-11H2,(H,23,26).
What are the key properties of 5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 3.09, 4 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-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 113184135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).