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

C9H9F3N2O2 — CID 47017920

IUPACN-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C9H9F3N2O2/c1-2-13-7(15)5-3-4-6(9(10,11)12)14-8(5)16/h3-4H,2H2,1H3,(H,13,15)(H,14,16)
InChIKeySLUMTMNAILJXPL-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.14
Rot. Bonds2

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

N-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 47017920) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is N-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID47017920
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC NameN-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C9H9F3N2O2/c1-2-13-7(15)5-3-4-6(9(10,11)12)14-8(5)16/h3-4H,2H2,1H3,(H,13,15)(H,14,16)
InChIKeySLUMTMNAILJXPL-UHFFFAOYSA-N
XLogP1.14
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 47017920) is N-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is SLUMTMNAILJXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-2-13-7(15)5-3-4-6(9(10,11)12)14-8(5)16/h3-4H,2H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 234.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47017920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).