2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C12H15F3N2O2 — CID 34393539

IUPAC2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC[C@H](C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H15F3N2O2/c1-3-4-7(2)16-10(18)8-5-6-9(12(13,14)15)17-11(8)19/h5-7H,3-4H2,1-2H3,(H,16,18)(H,17,19)/t7-/m0/s1
InChIKeyGIAYKOUTWXOTBP-ZETCQYMHSA-N
MW276.26 g/mol
LogP2.31
Rot. Bonds4

About 2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 34393539) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID34393539
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC[C@H](C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H15F3N2O2/c1-3-4-7(2)16-10(18)8-5-6-9(12(13,14)15)17-11(8)19/h5-7H,3-4H2,1-2H3,(H,16,18)(H,17,19)/t7-/m0/s1
InChIKeyGIAYKOUTWXOTBP-ZETCQYMHSA-N
XLogP2.31
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 51090986
2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 30481294
6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide
CID 164643183
N,N-dimethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 25030824
1-Methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39024342
6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 59718858
N-Cyclobutyl-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828237
6-(Difluoromethyl)-N-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828239
N-Methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828241
6-(Heptafluoropropyl)-2-oxo-N-propyl-1,2-dihydropyridine-3-carboxamide
CID 59828242
6-[Chloro(difluoro)methyl]-N-(1-ethylpropyl)-5-iodo-2-oxo-1,2-dihydro-pyridine-3-carboxamide
CID 59828243
N-(1-Methylpropyl)-2-oxo-6-(pentafluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828247

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 34393539) is 2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCC[C@H](C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GIAYKOUTWXOTBP-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-3-4-7(2)16-10(18)8-5-6-9(12(13,14)15)17-11(8)19/h5-7H,3-4H2,1-2H3,(H,16,18)(H,17,19)/t7-/m0/s1.
What are the key properties of 2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 34393539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).