N-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide

C14H19F3N2O2 — CID 102562564

IUPACN-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(C)(CNC(=O)c1cccnc1C(F)(F)F)C(C)O
InChIInChI=1S/C14H19F3N2O2/c1-4-13(3,9(2)20)8-19-12(21)10-6-5-7-18-11(10)14(15,16)17/h5-7,9,20H,4,8H2,1-3H3,(H,19,21)
InChIKeySQBXWNMKMHVPLM-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.63
Rot. Bonds5

About N-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide

N-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 102562564) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID102562564
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(C)(CNC(=O)c1cccnc1C(F)(F)F)C(C)O
InChIInChI=1S/C14H19F3N2O2/c1-4-13(3,9(2)20)8-19-12(21)10-6-5-7-18-11(10)14(15,16)17/h5-7,9,20H,4,8H2,1-3H3,(H,19,21)
InChIKeySQBXWNMKMHVPLM-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120527844
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194
4-methyl-2-[[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]pentanoic acid
CID 120528438
N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 146083234
2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120524125
N-[2,2-difluoro-2-[4-pyrimidin-5-yl-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 126578757
2-[(4-ethoxyphenyl)methyl]-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120524880
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629
tert-butyl 3-[[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylate
CID 171785762
N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 97349839
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide (CID 102562564) is N-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide is CCC(C)(CNC(=O)c1cccnc1C(F)(F)F)C(C)O.
What is the InChIKey of N-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SQBXWNMKMHVPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-4-13(3,9(2)20)8-19-12(21)10-6-5-7-18-11(10)14(15,16)17/h5-7,9,20H,4,8H2,1-3H3,(H,19,21).
What are the key properties of N-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
N-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 102562564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).