N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C13H17F3N2O3 — CID 65112623

IUPACN-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H17F3N2O3/c1-3-12(21,4-2)7-17-10(19)8-5-6-9(13(14,15)16)18-11(8)20/h5-6,21H,3-4,7H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZSNKMQRPYSDPPL-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.67
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 65112623) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID65112623
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H17F3N2O3/c1-3-12(21,4-2)7-17-10(19)8-5-6-9(13(14,15)16)18-11(8)20/h5-6,21H,3-4,7H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZSNKMQRPYSDPPL-UHFFFAOYSA-N
XLogP1.67
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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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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
N-ethyl-N-(2-ethylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 53552804
N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 61245745
N-[(1-hydroxycyclopentyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64197369
N-(2-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65110034
N-(2-hydroxy-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65110907
3-(3-hydroxy-3-propylazetidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 65929558
3-(3-hydroxy-3-propan-2-ylazetidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 65940816
3-(3-ethyl-3-hydroxyazetidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 65950374
3-(3-hydroxy-3-methylazetidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 65951049
3-{[(3R*,4R*)-3-hydroxy-3,4-dimethyl-1-pyrrolidinyl]carbonyl}-6-(trifluoromethyl)-2-pyridinol
CID 72930900

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 65112623) is N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCC(O)(CC)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is ZSNKMQRPYSDPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-3-12(21,4-2)7-17-10(19)8-5-6-9(13(14,15)16)18-11(8)20/h5-6,21H,3-4,7H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 65112623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).