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

C12H15F3N2O3 — CID 79247049

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H15F3N2O3/c1-6(2)8(5-18)16-10(19)7-3-4-9(12(13,14)15)17-11(7)20/h3-4,6,8,18H,5H2,1-2H3,(H,16,19)(H,17,20)/t8-/m1/s1
InChIKeyCTKBYPKWZVAJBQ-MRVPVSSYSA-N
MW292.26 g/mol
LogP1.14
Rot. Bonds4

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

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 79247049) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID79247049
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H15F3N2O3/c1-6(2)8(5-18)16-10(19)7-3-4-9(12(13,14)15)17-11(7)20/h3-4,6,8,18H,5H2,1-2H3,(H,16,19)(H,17,20)/t8-/m1/s1
InChIKeyCTKBYPKWZVAJBQ-MRVPVSSYSA-N
XLogP1.14
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide
CID 164643183
N-[(2R)-1-methoxypropan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 32069418
N-[(2S)-1-methoxypropan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 32069428
N-(3-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 40114092
3-methyl-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 43170378
N-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43394531
N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43417634
N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43417949
N-(2-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43418289
N-(1-hydroxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43419121
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 43469291
N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43500842

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 79247049) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(C)[C@@H](CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CTKBYPKWZVAJBQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-6(2)8(5-18)16-10(19)7-3-4-9(12(13,14)15)17-11(7)20/h3-4,6,8,18H,5H2,1-2H3,(H,16,19)(H,17,20)/t8-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 79247049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).