1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide

C9H9F3N2O2 — CID 154465460

IUPAC1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCn1cc(C(N)=O)cc(C(F)(F)F)c1=O
InChIInChI=1S/C9H9F3N2O2/c1-2-14-4-5(7(13)15)3-6(8(14)16)9(10,11)12/h3-4H,2H2,1H3,(H2,13,15)
InChIKeyCTHJGTZUOFXLPC-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.99
Rot. Bonds2

About 1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide

1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 154465460) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID154465460
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCn1cc(C(N)=O)cc(C(F)(F)F)c1=O
InChIInChI=1S/C9H9F3N2O2/c1-2-14-4-5(7(13)15)3-6(8(14)16)9(10,11)12/h3-4H,2H2,1H3,(H2,13,15)
InChIKeyCTHJGTZUOFXLPC-UHFFFAOYSA-N
XLogP0.99
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N1-Methyl-2-pyridone-5-carboxamide
CID 69698
N,1-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 12374555
N-methyl-6-oxo-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-1,6-dihydropyridine-3-carboxamide
CID 49669728
6-Hydroxy-n,n-diethylnicotinamide
CID 9899087
1-[(1-Methyl-2-oxopyridin-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 53530146
6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide
CID 95905654
2-[3-Methyl-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetonitrile
CID 14836978
2-[2-Oxo-3,5-bis(trifluoromethyl)pyridin-1-yl]acetonitrile
CID 14837010
3-[2-Oxo-5-(trifluoromethyl)pyridin-1-yl]propanamide
CID 17436445
1-(2-Methylidenebutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57985838
1-(3-Oxobutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57986013
1-Ethyl-5-(trifluoromethyl)pyridin-2-one
CID 58147747

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide (CID 154465460) is 1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide is CCn1cc(C(N)=O)cc(C(F)(F)F)c1=O.
What is the InChIKey of 1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CTHJGTZUOFXLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-2-14-4-5(7(13)15)3-6(8(14)16)9(10,11)12/h3-4H,2H2,1H3,(H2,13,15).
What are the key properties of 1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 234.18 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 154465460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).