2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide

C18H19N3O2S — CID 655184

IUPAC2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCOCc1cc(C)nc(SCC(=O)Nc2ccccc2C)c1C#N
InChIInChI=1S/C18H19N3O2S/c1-12-6-4-5-7-16(12)21-17(22)11-24-18-15(9-19)14(10-23-3)8-13(2)20-18/h4-8H,10-11H2,1-3H3,(H,21,22)
InChIKeyBAOAXOCMULMZGT-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.45
Rot. Bonds6

About 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide

2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 655184) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID655184
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCOCc1cc(C)nc(SCC(=O)Nc2ccccc2C)c1C#N
InChIInChI=1S/C18H19N3O2S/c1-12-6-4-5-7-16(12)21-17(22)11-24-18-15(9-19)14(10-23-3)8-13(2)20-18/h4-8H,10-11H2,1-3H3,(H,21,22)
InChIKeyBAOAXOCMULMZGT-UHFFFAOYSA-N
XLogP3.45
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-Chlorophenyl)methylsulfanyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 2055113
4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile
CID 2721395
2-[(4-Bromobenzyl)sulfanyl]-4-(methoxymethyl)-6-methylnicotinonitrile
CID 3697572
N-[3-(acetylamino)phenyl]-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
CID 657970
2-((2-Chlorobenzyl)thio)-4-(methoxymethyl)-6-methylnicotinonitrile
CID 708959
2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
CID 755828
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1541053
4-(Methoxymethyl)-6-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile
CID 2215459
2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 2234099
2-[[3-Cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]ethyl-dimethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium chloride
CID 16193318
2-[[3-Cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]ethyl-dimethyl-[2-(3-methylanilino)-2-oxoethyl]azanium chloride
CID 16193319
(2-Anilino-2-oxoethyl)-[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]ethyl]-dimethylazanium chloride
CID 16193320

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide (CID 655184) is 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide is COCc1cc(C)nc(SCC(=O)Nc2ccccc2C)c1C#N.
What is the InChIKey of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is BAOAXOCMULMZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-6-4-5-7-16(12)21-17(22)11-24-18-15(9-19)14(10-23-3)8-13(2)20-18/h4-8H,10-11H2,1-3H3,(H,21,22).
What are the key properties of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide?
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 655184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).