2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide

C17H15N5OS — CID 698675

IUPAC2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nc(N)c(C#N)cc2C#N)c1
InChIInChI=1S/C17H15N5OS/c1-10-3-4-11(2)14(5-10)21-15(23)9-24-17-13(8-19)6-12(7-18)16(20)22-17/h3-6H,9H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyGGOAOQCDKFJJPM-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.75
Rot. Bonds4

About 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide

2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 698675) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID698675
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nc(N)c(C#N)cc2C#N)c1
InChIInChI=1S/C17H15N5OS/c1-10-3-4-11(2)14(5-10)21-15(23)9-24-17-13(8-19)6-12(7-18)16(20)22-17/h3-6H,9H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyGGOAOQCDKFJJPM-UHFFFAOYSA-N
XLogP2.75
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(4-Acetamidophenyl)-6-amino-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide
CID 21893339
2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-(2-methylphenyl)acetamide
CID 678367
6-(allylthio)-2-amino-5-cyano-N-phenylnicotinamide
CID 2197499
2-[(6-amino-3,5-dicyano-4-thien-2-ylpyridin-2-yl)thio]-N-(2-methylphenyl)acetamide
CID 3242698
2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 1002275
2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(6-methylpyridin-2-yl)acetamide
CID 1037670
2-[(3-Cyano-4,6-dimethylpyridin-2-YL)sulfanyl]-N-(2-cyanophenyl)acetamide
CID 712234
2-(Allylthio)-6-amino-4-(p-tolyl)pyridine-3,5-dicarbonitrile
CID 660824
2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-phenylacetamide
CID 684025
2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(2,5-dimethyl-phenyl)-acetamide
CID 856154
2-[(3-Cyano-6-phenylpyridin-2-YL)sulfanyl]-N-(3-methylphenyl)acetamide
CID 46265770
2-((3-Cyano-4,6-dimethylpyridin-2-yl)thio)-N-(o-tolyl)acetamide
CID 555289

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide (CID 698675) is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CSc2nc(N)c(C#N)cc2C#N)c1.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is GGOAOQCDKFJJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-10-3-4-11(2)14(5-10)21-15(23)9-24-17-13(8-19)6-12(7-18)16(20)22-17/h3-6H,9H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 337.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 698675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).