4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile

C13H19N3S — CID 104925639

IUPAC4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile
SMILESCSCCCCCNc1nccc(C)c1C#N
InChIInChI=1S/C13H19N3S/c1-11-6-8-16-13(12(11)10-14)15-7-4-3-5-9-17-2/h6,8H,3-5,7,9H2,1-2H3,(H,15,16)
InChIKeyXGOYJUILWSRJCP-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.21
Rot. Bonds7

About 4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile

4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile (PubChem CID 104925639) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile
PubChem CID104925639
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile
SMILESCSCCCCCNc1nccc(C)c1C#N
InChIInChI=1S/C13H19N3S/c1-11-6-8-16-13(12(11)10-14)15-7-4-3-5-9-17-2/h6,8H,3-5,7,9H2,1-2H3,(H,15,16)
InChIKeyXGOYJUILWSRJCP-UHFFFAOYSA-N
XLogP3.21
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(4,4,4-trifluorobutylamino)pyridine-3-carbonitrile
CID 113327555
2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
CID 107269156
4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941151
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile
CID 113412232
4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 107268914
2-(3-methylsulfanylpropylamino)pyridine-3-carbonitrile
CID 63965471
2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 115306682
2-[2-(2-hydroxypropylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 104594443
2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145
2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine
CID 103088102
2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile
CID 104705443
4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328949

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile (CID 104925639) is 4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile is CSCCCCCNc1nccc(C)c1C#N.
What is the InChIKey of 4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile?
The InChIKey is XGOYJUILWSRJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-11-6-8-16-13(12(11)10-14)15-7-4-3-5-9-17-2/h6,8H,3-5,7,9H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile?
4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile has a molecular weight of 249.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 104925639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).