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

C11H13F3N2O3 — CID 43500842

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H13F3N2O3/c1-10(2,5-17)16-9(19)6-3-4-7(11(12,13)14)15-8(6)18/h3-4,17H,5H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyQNDMKOOGOSFNJT-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.89
Rot. Bonds3

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

N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 43500842) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID43500842
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H13F3N2O3/c1-10(2,5-17)16-9(19)6-3-4-7(11(12,13)14)15-8(6)18/h3-4,17H,5H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyQNDMKOOGOSFNJT-UHFFFAOYSA-N
XLogP0.89
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43573525
N-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60708540
N,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 61234168
2-methyl-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 61261722
N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 62333492
N-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 62521559
N-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64555604

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 43500842) is N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(C)(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is QNDMKOOGOSFNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-10(2,5-17)16-9(19)6-3-4-7(11(12,13)14)15-8(6)18/h3-4,17H,5H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43500842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).