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

C12H15F3N2O3 — CID 65110034

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

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

N-(2-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 65110034) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID65110034
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC(C)(O)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H15F3N2O3/c1-3-11(2,20)6-16-9(18)7-4-5-8(12(13,14)15)17-10(7)19/h4-5,20H,3,6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyUGRRCVJYSHYUCM-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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Related Compounds

3-({3-[(Dimethylamino)methyl]-3-hydroxy-1-piperidinyl}carbonyl)-6-(trifluoromethyl)-2-pyridinol
CID 56889511
6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide
CID 164643183
1-ethyl-N-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 172376787
N-(3-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 40114092
N-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43394531
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
2-oxo-N-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 47017344
N-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 47017920
N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 62333492

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 65110034) is N-(2-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCC(C)(O)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is UGRRCVJYSHYUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-3-11(2,20)6-16-9(18)7-4-5-8(12(13,14)15)17-10(7)19/h4-5,20H,3,6H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2-hydroxy-2-methylbutyl)-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-(2-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 65110034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).