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

C16H12F3N3O2 — CID 110684610

IUPAC5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CC(=O)N(c2cccnc2)C1
InChIInChI=1S/C16H12F3N3O2/c17-11-3-4-12(15(19)14(11)18)21-16(24)9-6-13(23)22(8-9)10-2-1-5-20-7-10/h1-5,7,9H,6,8H2,(H,21,24)
InChIKeyLAQRMENNZQUQCS-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.49
Rot. Bonds3

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

5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide (PubChem CID 110684610) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
PubChem CID110684610
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CC(=O)N(c2cccnc2)C1
InChIInChI=1S/C16H12F3N3O2/c17-11-3-4-12(15(19)14(11)18)21-16(24)9-6-13(23)22(8-9)10-2-1-5-20-7-10/h1-5,7,9H,6,8H2,(H,21,24)
InChIKeyLAQRMENNZQUQCS-UHFFFAOYSA-N
XLogP2.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110684594
1-(2-fluorophenyl)-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 51176548
1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 113189709
methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate
CID 110684590
methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
CID 50873886
N-(1H-indazol-6-yl)-5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110684595
1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 42656080
(3R)-N-(4-bromo-2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1006550
1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 146124051
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 796278

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide (CID 110684610) is 5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1F)C1CC(=O)N(c2cccnc2)C1.
What is the InChIKey of 5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is LAQRMENNZQUQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-11-3-4-12(15(19)14(11)18)21-16(24)9-6-13(23)22(8-9)10-2-1-5-20-7-10/h1-5,7,9H,6,8H2,(H,21,24).
What are the key properties of 5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110684610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).