6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile

C15H15N3S — CID 660204

IUPAC6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile
SMILESCCc1nc(SCc2cccnc2)c(C#N)cc1C
InChIInChI=1S/C15H15N3S/c1-3-14-11(2)7-13(8-16)15(18-14)19-10-12-5-4-6-17-9-12/h4-7,9H,3,10H2,1-2H3
InChIKeyMXITZBMKGRJDFQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.51
Rot. Bonds4

About 6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile

6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile (PubChem CID 660204) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile
PubChem CID660204
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile
SMILESCCc1nc(SCc2cccnc2)c(C#N)cc1C
InChIInChI=1S/C15H15N3S/c1-3-14-11(2)7-13(8-16)15(18-14)19-10-12-5-4-6-17-9-12/h4-7,9H,3,10H2,1-2H3
InChIKeyMXITZBMKGRJDFQ-UHFFFAOYSA-N
XLogP3.51
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fatostatin
CID 1889993
4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
3-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile
CID 16662948
3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
2-Methyl-4-(3-pyridyl)thiazole
CID 600616
5-((6-Methylpyridin-2-yl)ethynyl)nicotinonitrile
CID 46861851
Dimethyl({2-[(6-phenylpyridin-2-yl)sulfanyl]ethyl})amine
CID 9881600
5-(2-Methyl-thiazol-4-ylethynyl)-[3,3'''']bipyridinyl
CID 44392969
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]pyridine
CID 57384102
4-Methyl-2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
CID 710280

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile (CID 660204) is 6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile is CCc1nc(SCc2cccnc2)c(C#N)cc1C.
What is the InChIKey of 6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is MXITZBMKGRJDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-3-14-11(2)7-13(8-16)15(18-14)19-10-12-5-4-6-17-9-12/h4-7,9H,3,10H2,1-2H3.
What are the key properties of 6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile?
6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 269.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 660204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).