N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide

C15H19F3N2O2S — CID 75444693

IUPACN-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
SMILESCC(C)C(O)C1(CNC(=O)c2cccnc2SC(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O2S/c1-9(2)11(21)14(5-6-14)8-20-12(22)10-4-3-7-19-13(10)23-15(16,17)18/h3-4,7,9,11,21H,5-6,8H2,1-2H3,(H,20,22)
InChIKeyZSNKRUIDESJWNU-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.22
Rot. Bonds6

About N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide

N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide (PubChem CID 75444693) has the molecular formula C15H19F3N2O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
PubChem CID75444693
Molecular FormulaC15H19F3N2O2S
Molecular Weight348.39 g/mol
Exact Mass348.11
IUPAC NameN-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
SMILESCC(C)C(O)C1(CNC(=O)c2cccnc2SC(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O2S/c1-9(2)11(21)14(5-6-14)8-20-12(22)10-4-3-7-19-13(10)23-15(16,17)18/h3-4,7,9,11,21H,5-6,8H2,1-2H3,(H,20,22)
InChIKeyZSNKRUIDESJWNU-UHFFFAOYSA-N
XLogP3.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[[[2-(trifluoromethylsulfanyl)pyridine-3-carbonyl]amino]methyl]pentanoic acid
CID 120528641
N-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47859052
2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 114114627
N-[[3-(methoxymethyl)phenyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47856181
N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 75447518
2-(difluoromethylsulfanyl)-N-[(1-hydroxycycloheptyl)methyl]pyridine-3-carboxamide
CID 111428733
2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide
CID 18165140
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 111661550
N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide
CID 43427741
N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 47038893
2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide
CID 171108763

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide (CID 75444693) is N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide is CC(C)C(O)C1(CNC(=O)c2cccnc2SC(F)(F)F)CC1.
What is the InChIKey of N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is ZSNKRUIDESJWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2S/c1-9(2)11(21)14(5-6-14)8-20-12(22)10-4-3-7-19-13(10)23-15(16,17)18/h3-4,7,9,11,21H,5-6,8H2,1-2H3,(H,20,22).
What are the key properties of N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 348.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 75444693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).