2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide

C16H13F3N4OS — CID 1037670

IUPAC2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)n1
InChIInChI=1S/C16H13F3N4OS/c1-9-4-3-5-13(21-9)23-14(24)8-25-15-11(7-20)12(16(17,18)19)6-10(2)22-15/h3-6H,8H2,1-2H3,(H,21,23,24)
InChIKeyHFXPBUCXIVWDKW-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.71
Rot. Bonds4

About 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide

2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 1037670) has the molecular formula C16H13F3N4OS and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID1037670
Molecular FormulaC16H13F3N4OS
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC Name2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)n1
InChIInChI=1S/C16H13F3N4OS/c1-9-4-3-5-13(21-9)23-14(24)8-25-15-11(7-20)12(16(17,18)19)6-10(2)22-15/h3-6H,8H2,1-2H3,(H,21,23,24)
InChIKeyHFXPBUCXIVWDKW-UHFFFAOYSA-N
XLogP3.71
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide with MolForge

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Related Compounds

2-[[4-(4-Acetamidophenyl)-6-amino-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide
CID 21893339
N-(4-amino-6-butylsulfanyl-5-cyanopyridin-2-yl)acetamide
CID 11601374
2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-(2-methylphenyl)acetamide
CID 678367
2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 1002275
US10975056, Example 206
CID 132233316
2-[(3-cyano-4,6-dimethylpyridin-2-yl)thio]-N-(2-fluorophenyl)acetamide
CID 703299
2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(6-methylpyridin-2-yl)acetamide
CID 1035931
2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-phenylacetamide
CID 1243373
2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 3505506
2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
CID 1035852
2-[(6-Amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 698675
US10975056, Example 273
CID 132232614

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide (CID 1037670) is 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide is Cc1cccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)n1.
What is the InChIKey of 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is HFXPBUCXIVWDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c1-9-4-3-5-13(21-9)23-14(24)8-25-15-11(7-20)12(16(17,18)19)6-10(2)22-15/h3-6H,8H2,1-2H3,(H,21,23,24).
What are the key properties of 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide?
2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 366.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 1037670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).