2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide

C11H13F3N2OS — CID 79877133

IUPAC2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(C)Sc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C11H13F3N2OS/c1-3-6(2)18-10-7(9(15)17)4-5-8(16-10)11(12,13)14/h4-6H,3H2,1-2H3,(H2,15,17)
InChIKeyZISAVWAJDAPSKQ-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.09
Rot. Bonds4

About 2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide

2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79877133) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79877133
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(C)Sc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C11H13F3N2OS/c1-3-6(2)18-10-7(9(15)17)4-5-8(16-10)11(12,13)14/h4-6H,3H2,1-2H3,(H2,15,17)
InChIKeyZISAVWAJDAPSKQ-UHFFFAOYSA-N
XLogP3.09
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorobutan-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876806
[2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79876736
methyl 3-[[3-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropanoate
CID 79874361
2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868936
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875124
2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 115824731
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869147
2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869695
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 115382955
2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869003
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106345572

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79877133) is 2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide is CCC(C)Sc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZISAVWAJDAPSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-3-6(2)18-10-7(9(15)17)4-5-8(16-10)11(12,13)14/h4-6H,3H2,1-2H3,(H2,15,17).
What are the key properties of 2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide?
2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 278.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79877133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).