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

C16H13N5OS — CID 678367

IUPAC2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C16H13N5OS/c1-10-4-2-3-5-13(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)
InChIKeyXXPOKTJAUQQNLU-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.45
Rot. Bonds4

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

2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 678367) 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-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID678367
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C16H13N5OS/c1-10-4-2-3-5-13(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)
InChIKeyXXPOKTJAUQQNLU-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

(R)-2-((3,5-dicyano-6-(dimethylamino)-4-ethylpyridin-2-yl)thio)-2-phenylacetamide
CID 132233666
(Rac)-GSK-3484862
CID 132233424
2-[[4-(4-Acetamidophenyl)-6-amino-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide
CID 21893339
N-(4-amino-6-butylsulfanyl-5-cyanopyridin-2-yl)acetamide
CID 11601374
6-Amino-4-phenyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile
CID 2057307
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-Amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
CID 9114471
2-Amino-4-(4-dimethylamino-phenyl)-6-(2-hydroxy-ethylsulfanyl)-pyridine-3,5-dicarbonitrile
CID 11739287
2-{[3-Cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-YL]sulfanyl}-N-(2-cyanophenyl)acetamide
CID 15991104
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

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide (CID 678367) is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is XXPOKTJAUQQNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-10-4-2-3-5-13(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-(2-methylphenyl)acetamide?
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-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-(2-methylphenyl)acetamide is sourced from PubChem (CID 678367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).