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

C13H17F3N2O3 — CID 106180447

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H17F3N2O3/c1-11(2,12(3,4)21)18-10(20)7-5-6-8(13(14,15)16)17-9(7)19/h5-6,21H,1-4H3,(H,17,19)(H,18,20)
InChIKeyCWQIOTDDVKYMLI-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.67
Rot. Bonds3

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

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 106180447) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID106180447
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H17F3N2O3/c1-11(2,12(3,4)21)18-10(20)7-5-6-8(13(14,15)16)17-9(7)19/h5-6,21H,1-4H3,(H,17,19)(H,18,20)
InChIKeyCWQIOTDDVKYMLI-UHFFFAOYSA-N
XLogP1.67
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 106180447) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(C)(O)C(C)(C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CWQIOTDDVKYMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-11(2,12(3,4)21)18-10(20)7-5-6-8(13(14,15)16)17-9(7)19/h5-6,21H,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106180447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).