2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide

C17H16ClN3OS — CID 714282

IUPAC2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
SMILESCc1nc(SCC(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C17H16ClN3OS/c1-11-14(9-19)17(20-12(2)16(11)18)23-10-15(22)21(3)13-7-5-4-6-8-13/h4-8H,10H2,1-3H3
InChIKeyRMTRDJCQYPWYTO-UHFFFAOYSA-N
MW345.86 g/mol
LogP3.98
Rot. Bonds4

About 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide

2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide (PubChem CID 714282) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
PubChem CID714282
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
SMILESCc1nc(SCC(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C17H16ClN3OS/c1-11-14(9-19)17(20-12(2)16(11)18)23-10-15(22)21(3)13-7-5-4-6-8-13/h4-8H,10H2,1-3H3
InChIKeyRMTRDJCQYPWYTO-UHFFFAOYSA-N
XLogP3.98
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(acetylamino)phenyl]-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
CID 657970
N-benzyl-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-ethylacetamide
CID 5223232
2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N,N-diethylacetamide
CID 744025
2-{[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
CID 657904
N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 162654769
2-[(3-cyano-6-phenyl-2-pyridinyl)thio]-N,N-diethylacetamide
CID 973728
2-[(2-Chlorobenzyl)sulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile
CID 755835
N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
CID 5299641
4,6-Dimethyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carbonitrile
CID 710309
N-(4-Chlorophenyl)-2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamide
CID 1744296
6-(4-Chlorophenyl)-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]thio}-4-(trifluoromethyl)nicotinonitrile
CID 2224590
2-[(3-Cyano-4,6-dimethylpyridin-2-YL)sulfanyl]-N-(2-cyanophenyl)acetamide
CID 712234

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide (CID 714282) is 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide is Cc1nc(SCC(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl.
What is the InChIKey of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide?
The InChIKey is RMTRDJCQYPWYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-11-14(9-19)17(20-12(2)16(11)18)23-10-15(22)21(3)13-7-5-4-6-8-13/h4-8H,10H2,1-3H3.
What are the key properties of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide?
2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide has a molecular weight of 345.86 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 714282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).