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

C19H21N3O2S — CID 659618

IUPAC2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
SMILESCOCc1cc(C)nc(SCC(=O)Nc2ccc(C)c(C)c2)c1C#N
InChIInChI=1S/C19H21N3O2S/c1-12-5-6-16(7-13(12)2)22-18(23)11-25-19-17(9-20)15(10-24-4)8-14(3)21-19/h5-8H,10-11H2,1-4H3,(H,22,23)
InChIKeyIIZLYBUMWXGQEG-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.76
Rot. Bonds6

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

2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 659618) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID659618
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
SMILESCOCc1cc(C)nc(SCC(=O)Nc2ccc(C)c(C)c2)c1C#N
InChIInChI=1S/C19H21N3O2S/c1-12-5-6-16(7-13(12)2)22-18(23)11-25-19-17(9-20)15(10-24-4)8-14(3)21-19/h5-8H,10-11H2,1-4H3,(H,22,23)
InChIKeyIIZLYBUMWXGQEG-UHFFFAOYSA-N
XLogP3.76
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile
CID 2721395
2-(3-Cyano-4-methoxymethyl-6-methyl-pyridin-2-ylsulfanyl)-N-o-tolyl-acetamide
CID 655184
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
2-Benzylsulfanyl-4-methoxymethyl-6-methyl-nicotinonitrile
CID 684242
2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]thio}-N-(2,3-dimethylphenyl)acetamide
CID 1804684
2-(4-Fluoro-benzylsulfanyl)-4-methoxymethyl-6-methyl-nicotinonitrile
CID 3141842

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide (CID 659618) is 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide is COCc1cc(C)nc(SCC(=O)Nc2ccc(C)c(C)c2)c1C#N.
What is the InChIKey of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is IIZLYBUMWXGQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-5-6-16(7-13(12)2)22-18(23)11-25-19-17(9-20)15(10-24-4)8-14(3)21-19/h5-8H,10-11H2,1-4H3,(H,22,23).
What are the key properties of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide?
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.76, 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 659618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).