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

C15H13N3OS — CID 648486

IUPAC2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1cc(-c2ccccc2)c(C#N)c(SCC(N)=O)n1
InChIInChI=1S/C15H13N3OS/c1-10-7-12(11-5-3-2-4-6-11)13(8-16)15(18-10)20-9-14(17)19/h2-7H,9H2,1H3,(H2,17,19)
InChIKeyLIDGBWGDDVKUBT-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.51
Rot. Bonds4

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

2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 648486) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID648486
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1cc(-c2ccccc2)c(C#N)c(SCC(N)=O)n1
InChIInChI=1S/C15H13N3OS/c1-10-7-12(11-5-3-2-4-6-11)13(8-16)15(18-10)20-9-14(17)19/h2-7H,9H2,1H3,(H2,17,19)
InChIKeyLIDGBWGDDVKUBT-UHFFFAOYSA-N
XLogP2.51
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.51
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
2-(3-Cyano-quinolin-2-ylsulfanyl)-N-cyclopropyl-acetamide
CID 1433832
2-{[3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 551775
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
4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile
CID 1725159
N-benzyl-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-ethylacetamide
CID 5223232

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of 2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetamide (CID 648486) is 2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for 2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetamide is Cc1cc(-c2ccccc2)c(C#N)c(SCC(N)=O)n1.
What is the InChIKey of 2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is LIDGBWGDDVKUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10-7-12(11-5-3-2-4-6-11)13(8-16)15(18-10)20-9-14(17)19/h2-7H,9H2,1H3,(H2,17,19).
What are the key properties of 2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetamide?
2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 283.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 648486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).