2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide

C16H14FN3OS — CID 703299

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C16H14FN3OS/c1-10-7-11(2)19-16(12(10)8-18)22-9-15(21)20-14-6-4-3-5-13(14)17/h3-7H,9H2,1-2H3,(H,20,21)
InChIKeyQYAJBMCLWCROFS-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.44
Rot. Bonds4

About 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 703299) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID703299
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C16H14FN3OS/c1-10-7-11(2)19-16(12(10)8-18)22-9-15(21)20-14-6-4-3-5-13(14)17/h3-7H,9H2,1-2H3,(H,20,21)
InChIKeyQYAJBMCLWCROFS-UHFFFAOYSA-N
XLogP3.44
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-((3-Cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-phenylacetamide
CID 3288231
2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)-N-(3-ME-PH)acetamide
CID 1035668
N-[3-(acetylamino)phenyl]-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
CID 657970
2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-cyclopropylacetamide
CID 658164
2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide
CID 929998
N-benzyl-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-ethylacetamide
CID 5223232
2-(Benzylsulfanyl)-4,6-dimethylnicotinonitrile
CID 698489
2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile
CID 2726035
2-[[4-(4-Acetamidophenyl)-6-amino-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide
CID 21893339
2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N,N-diethylacetamide
CID 744025
2-((3-Cyano-6-(4-F-PH)-4-(trifluoromethyl)-2-pyridinyl)thio)-N-phenylacetamide
CID 3854561
N-(2-Cyanophenyl)-2-((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)acetamide
CID 1256497

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide (CID 703299) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide is Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2F)n1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is QYAJBMCLWCROFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-10-7-11(2)19-16(12(10)8-18)22-9-15(21)20-14-6-4-3-5-13(14)17/h3-7H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 703299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).