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

C17H14N4OS — CID 712234

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-cyanophenyl)acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C#N)n1
InChIInChI=1S/C17H14N4OS/c1-11-7-12(2)20-17(14(11)9-19)23-10-16(22)21-15-6-4-3-5-13(15)8-18/h3-7H,10H2,1-2H3,(H,21,22)
InChIKeyVKDHVZQMYKLTEK-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.17
Rot. Bonds4

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

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-cyanophenyl)acetamide (PubChem CID 712234) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-cyanophenyl)acetamide
PubChem CID712234
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-cyanophenyl)acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C#N)n1
InChIInChI=1S/C17H14N4OS/c1-11-7-12(2)20-17(14(11)9-19)23-10-16(22)21-15-6-4-3-5-13(15)8-18/h3-7H,10H2,1-2H3,(H,21,22)
InChIKeyVKDHVZQMYKLTEK-UHFFFAOYSA-N
XLogP3.17
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
2-(3-Cyano-quinolin-2-ylsulfanyl)-N-cyclopropyl-acetamide
CID 1433832
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
4,6-Dimethyl-2-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]thio}nicotinonitrile
CID 135472805
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-cyanophenyl)acetamide (CID 712234) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-cyanophenyl)acetamide is Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C#N)n1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-cyanophenyl)acetamide?
The InChIKey is VKDHVZQMYKLTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-11-7-12(2)20-17(14(11)9-19)23-10-16(22)21-15-6-4-3-5-13(15)8-18/h3-7H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-cyanophenyl)acetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-cyanophenyl)acetamide has a molecular weight of 322.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 712234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).