2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide

C16H13N5OS — CID 911685

IUPAC2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc(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)
InChIKeyJSLOQMPWYOQORX-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.45
Rot. Bonds4

About 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide

2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 911685) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide
PubChem CID911685
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc(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)
InChIKeyJSLOQMPWYOQORX-UHFFFAOYSA-N
XLogP2.45
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 1244717
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 3207775
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 87048576
2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 6954246
ethyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995334
methyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1151265
2-amino-5-cyano-6-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 31753049
4-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide
CID 2216906
N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide
CID 23007666
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide
CID 90481403
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3207784
N-(4-acetylphenyl)-2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 1450283

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide (CID 911685) is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)cc1.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide?
The InChIKey is JSLOQMPWYOQORX-UHFFFAOYSA-N. 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).
What are the key properties of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide?
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 323.38 g/mol, XLogP of 2.45, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 911685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).