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

C16H15N3OS — CID 684025

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C16H15N3OS/c1-11-8-12(2)18-16(14(11)9-17)21-10-15(20)19-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3,(H,19,20)
InChIKeyDYDKXVPMYWYSJF-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.30
Rot. Bonds4

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

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide (PubChem CID 684025) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
PubChem CID684025
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C16H15N3OS/c1-11-8-12(2)18-16(14(11)9-17)21-10-15(20)19-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3,(H,19,20)
InChIKeyDYDKXVPMYWYSJF-UHFFFAOYSA-N
XLogP3.30
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-
CID 676604
4-Methyl-2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
CID 710280
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
2-[(2-Cyclopropyl-2-oxoethyl)thio]-4,6-dimethyl-3-pyridinecarbonitrile
CID 683642
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-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile
CID 1731287
2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile
CID 2726035

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide (CID 684025) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide is Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
The InChIKey is DYDKXVPMYWYSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-8-12(2)18-16(14(11)9-17)21-10-15(20)19-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide has a molecular weight of 297.38 g/mol, XLogP of 3.30, 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-phenylacetamide is sourced from PubChem (CID 684025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).