5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide

C11H10F3N3O2 — CID 168698147

IUPAC5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)7-1-2-16-4-8(7)17-5-6(10(15)19)3-9(17)18/h1-2,4,6H,3,5H2,(H2,15,19)
InChIKeyGVTLGOLUTUXQRY-UHFFFAOYSA-N
MW273.21 g/mol
LogP0.94
Rot. Bonds2

About 5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide

5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 168698147) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID168698147
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)7-1-2-16-4-8(7)17-5-6(10(15)19)3-9(17)18/h1-2,4,6H,3,5H2,(H2,15,19)
InChIKeyGVTLGOLUTUXQRY-UHFFFAOYSA-N
XLogP0.94
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698152
1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698038
1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698399
1-[2-chloro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697516
5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxamide
CID 168698605
1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697662
5-oxo-N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188552
5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 168698366
1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698402
1-[2-amino-4-(trifluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697980

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide (CID 168698147) is 5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cnccc2C(F)(F)F)C1.
What is the InChIKey of 5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is GVTLGOLUTUXQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c12-11(13,14)7-1-2-16-4-8(7)17-5-6(10(15)19)3-9(17)18/h1-2,4,6H,3,5H2,(H2,15,19).
What are the key properties of 5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide?
5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 273.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 168698147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).