N-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C14H16F3N3O3 — CID 60552292

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCn1cc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)ccc1=O
InChIInChI=1S/C14H16F3N3O3/c1-2-19-7-10(3-4-11(19)21)18-13(23)9-5-12(22)20(6-9)8-14(15,16)17/h3-4,7,9H,2,5-6,8H2,1H3,(H,18,23)
InChIKeyLVUSJEYWFQKRJK-UHFFFAOYSA-N
MW331.29 g/mol
LogP1.22
Rot. Bonds4

About N-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 60552292) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID60552292
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCn1cc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)ccc1=O
InChIInChI=1S/C14H16F3N3O3/c1-2-19-7-10(3-4-11(19)21)18-13(23)9-5-12(22)20(6-9)8-14(15,16)17/h3-4,7,9H,2,5-6,8H2,1H3,(H,18,23)
InChIKeyLVUSJEYWFQKRJK-UHFFFAOYSA-N
XLogP1.22
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 60552292) is N-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCn1cc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is LVUSJEYWFQKRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-2-19-7-10(3-4-11(19)21)18-13(23)9-5-12(22)20(6-9)8-14(15,16)17/h3-4,7,9H,2,5-6,8H2,1H3,(H,18,23).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 331.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 60552292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).