2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide

C16H13F3N4OS — CID 87047862

IUPAC2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCc1cc(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cn2)nc1C
InChIInChI=1S/C16H13F3N4OS/c1-9-5-11(6-20)15(22-10(9)2)25-8-14(24)23-13-4-3-12(7-21-13)16(17,18)19/h3-5,7H,8H2,1-2H3,(H,21,23,24)
InChIKeyHSLFVIHMVIFIRX-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.71
Rot. Bonds4

About 2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide

2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 87047862) has the molecular formula C16H13F3N4OS and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID87047862
Molecular FormulaC16H13F3N4OS
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC Name2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCc1cc(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cn2)nc1C
InChIInChI=1S/C16H13F3N4OS/c1-9-5-11(6-20)15(22-10(9)2)25-8-14(24)23-13-4-3-12(7-21-13)16(17,18)19/h3-5,7H,8H2,1-2H3,(H,21,23,24)
InChIKeyHSLFVIHMVIFIRX-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

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Related Compounds

2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 87047938
2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 87047919
2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 87047859
2-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 87047910
2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43811391
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5,6-dimethylpyridine-3-carbonitrile
CID 22333224
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 18171664
2-[(4-cyano-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 5297519
2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 689229
4-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide
CID 2216906
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide
CID 17186377
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 24631082

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide (CID 87047862) is 2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide is Cc1cc(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cn2)nc1C.
What is the InChIKey of 2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is HSLFVIHMVIFIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c1-9-5-11(6-20)15(22-10(9)2)25-8-14(24)23-13-4-3-12(7-21-13)16(17,18)19/h3-5,7H,8H2,1-2H3,(H,21,23,24).
What are the key properties of 2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-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-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 87047862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).