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

C12H15F3N2O3 — CID 64555604

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC(C)(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H15F3N2O3/c1-3-11(2,6-18)17-10(20)7-4-5-8(12(13,14)15)16-9(7)19/h4-5,18H,3,6H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCGFLLYSKTQPWCS-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.28
Rot. Bonds4

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

N-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 64555604) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID64555604
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC(C)(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H15F3N2O3/c1-3-11(2,6-18)17-10(20)7-4-5-8(12(13,14)15)16-9(7)19/h4-5,18H,3,6H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCGFLLYSKTQPWCS-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 64555604) is N-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCC(C)(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CGFLLYSKTQPWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-3-11(2,6-18)17-10(20)7-4-5-8(12(13,14)15)16-9(7)19/h4-5,18H,3,6H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 64555604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).