2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane

C18H21N3S — CID 142466566

IUPAC2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane
SMILESCC.CSc1cc(C2=CCCC=N2)nc(-c2ccccn2)c1
InChIInChI=1S/C16H15N3S.C2H6/c1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;1-2/h2,4,6-11H,3,5H2,1H3;1-2H3
InChIKeyHLSWAZSABILNQL-UHFFFAOYSA-N
MW311.45 g/mol
LogP5.10
Rot. Bonds3

About 2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane

2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane (PubChem CID 142466566) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane.

Molecular Properties

Compound Name2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane
PubChem CID142466566
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC Name2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane
SMILESCC.CSc1cc(C2=CCCC=N2)nc(-c2ccccn2)c1
InChIInChI=1S/C16H15N3S.C2H6/c1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;1-2/h2,4,6-11H,3,5H2,1H3;1-2H3
InChIKeyHLSWAZSABILNQL-UHFFFAOYSA-N
XLogP5.10
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.45
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine
CID 142466565
4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132837741
4-[4-[2-(4-methylsulfanylphenyl)ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 132837740
2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 177474050
chloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide
CID 143194476
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-[2,4-bis(methylsulfanyl)phenyl]pyridine
CID 134966043
4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827506
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
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
3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine
CID 177463248
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane?
The IUPAC name of 2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane (CID 142466566) is 2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane.
What is the SMILES notation for 2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane?
The canonical SMILES for 2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane is CC.CSc1cc(C2=CCCC=N2)nc(-c2ccccn2)c1.
What is the InChIKey of 2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane?
The InChIKey is HLSWAZSABILNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S.C2H6/c1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;1-2/h2,4,6-11H,3,5H2,1H3;1-2H3.
What are the key properties of 2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane?
2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane has a molecular weight of 311.45 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane is sourced from PubChem (CID 142466566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).