2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

C16H14N5OS+ — CID 6954246

IUPAC2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2[nH+]c(N)c(C#N)cc2C#N)cc1
InChIInChI=1S/C16H13N5OS/c1-10-2-4-13(5-3-10)20-14(22)9-23-16-12(8-18)6-11(7-17)15(19)21-16/h2-6H,9H2,1H3,(H2,19,21)(H,20,22)/p+1
InChIKeyJSLOQMPWYOQORX-UHFFFAOYSA-O
MW324.39 g/mol
LogP1.87
Rot. Bonds4

About 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 6954246) has the molecular formula C16H14N5OS+ and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID6954246
Molecular FormulaC16H14N5OS+
Molecular Weight324.39 g/mol
Exact Mass324.09
IUPAC Name2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2[nH+]c(N)c(C#N)cc2C#N)cc1
InChIInChI=1S/C16H13N5OS/c1-10-2-4-13(5-3-10)20-14(22)9-23-16-12(8-18)6-11(7-17)15(19)21-16/h2-6H,9H2,1H3,(H2,19,21)(H,20,22)/p+1
InChIKeyJSLOQMPWYOQORX-UHFFFAOYSA-O
XLogP1.87
TPSA116.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 7333902
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 911685
2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 8562294
2-amino-6-phenacylsulfanylpyridin-1-ium-3,5-dicarbonitrile
CID 4743021
2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4066646
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 3207775
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79141243
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 79128325
2-amino-4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile
CID 6935834
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 1244717
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43304409

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (CID 6954246) is 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2[nH+]c(N)c(C#N)cc2C#N)cc1.
What is the InChIKey of 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is JSLOQMPWYOQORX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13N5OS/c1-10-2-4-13(5-3-10)20-14(22)9-23-16-12(8-18)6-11(7-17)15(19)21-16/h2-6H,9H2,1H3,(H2,19,21)(H,20,22)/p+1.
What are the key properties of 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 324.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 6954246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).