4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine

C23H20N4S — CID 15827506

IUPAC4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
SMILESCCSc1cc(-c2cccc(C)n2)nc(-c2cccc(-c3ccccn3)n2)c1
InChIInChI=1S/C23H20N4S/c1-3-28-17-14-22(20-10-6-8-16(2)25-20)27-23(15-17)21-12-7-11-19(26-21)18-9-4-5-13-24-18/h4-15H,3H2,1-2H3
InChIKeyLPHFOWPBCPESQS-UHFFFAOYSA-N
MW384.51 g/mol
LogP5.69
Rot. Bonds5

About 4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine

4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine (PubChem CID 15827506) has the molecular formula C23H20N4S and a molecular weight of 384.51 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
PubChem CID15827506
Molecular FormulaC23H20N4S
Molecular Weight384.51 g/mol
Exact Mass384.14
IUPAC Name4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
SMILESCCSc1cc(-c2cccc(C)n2)nc(-c2cccc(-c3ccccn3)n2)c1
InChIInChI=1S/C23H20N4S/c1-3-28-17-14-22(20-10-6-8-16(2)25-20)27-23(15-17)21-12-7-11-19(26-21)18-9-4-5-13-24-18/h4-15H,3H2,1-2H3
InChIKeyLPHFOWPBCPESQS-UHFFFAOYSA-N
XLogP5.69
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.51
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine
CID 177463248
ethane;3-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridazine
CID 143616936
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
4-ethoxy-2,6-bis(6-methyl-2-pyridinyl)pyridine
CID 10709725
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 66821845
propane;2-pyridin-2-ylpyridine
CID 158168510
bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium
CID 157164655
4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132837741
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
3,6-dipyridin-2-ylpyridazine;3-(1-ethoxyethenyl)-6-[6-(1-ethoxyethenyl)pyridazin-3-yl]pyridazine;3-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridazine
CID 158413304
2-(1-ethylimidazol-2-yl)-6-pyridin-2-ylpyridine
CID 70693432

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine?
The IUPAC name of 4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine (CID 15827506) is 4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine.
What is the SMILES notation for 4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine?
The canonical SMILES for 4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine is CCSc1cc(-c2cccc(C)n2)nc(-c2cccc(-c3ccccn3)n2)c1.
What is the InChIKey of 4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine?
The InChIKey is LPHFOWPBCPESQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4S/c1-3-28-17-14-22(20-10-6-8-16(2)25-20)27-23(15-17)21-12-7-11-19(26-21)18-9-4-5-13-24-18/h4-15H,3H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine?
4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine has a molecular weight of 384.51 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine is sourced from PubChem (CID 15827506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).