N-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

C13H14F3N3O3 — CID 138054690

IUPACN-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCN1CCC(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C1=O
InChIInChI=1S/C13H14F3N3O3/c1-2-19-4-3-9(12(19)22)18-11(21)7-6-17-10(20)5-8(7)13(14,15)16/h5-6,9H,2-4H2,1H3,(H,17,20)(H,18,21)
InChIKeyXHJFBFWNKQMCDG-UHFFFAOYSA-N
MW317.27 g/mol
LogP0.74
Rot. Bonds3

About N-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 138054690) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is N-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID138054690
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC NameN-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCN1CCC(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C1=O
InChIInChI=1S/C13H14F3N3O3/c1-2-19-4-3-9(12(19)22)18-11(21)7-6-17-10(20)5-8(7)13(14,15)16/h5-6,9H,2-4H2,1H3,(H,17,20)(H,18,21)
InChIKeyXHJFBFWNKQMCDG-UHFFFAOYSA-N
XLogP0.74
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 138054690) is N-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCN1CCC(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C1=O.
What is the InChIKey of N-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is XHJFBFWNKQMCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c1-2-19-4-3-9(12(19)22)18-11(21)7-6-17-10(20)5-8(7)13(14,15)16/h5-6,9H,2-4H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxopyrrolidin-3-yl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138054690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).