4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile

C15H23N3S — CID 103823147

IUPAC4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCCC(CC)(CNc1cc(C)nc(C)c1C#N)SC
InChIInChI=1S/C15H23N3S/c1-6-15(7-2,19-5)10-17-14-8-11(3)18-12(4)13(14)9-16/h8H,6-7,10H2,1-5H3,(H,17,18)
InChIKeySPKSBKGOVCCCOK-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.90
Rot. Bonds6

About 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile

4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 103823147) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID103823147
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCCC(CC)(CNc1cc(C)nc(C)c1C#N)SC
InChIInChI=1S/C15H23N3S/c1-6-15(7-2,19-5)10-17-14-8-11(3)18-12(4)13(14)9-16/h8H,6-7,10H2,1-5H3,(H,17,18)
InChIKeySPKSBKGOVCCCOK-UHFFFAOYSA-N
XLogP3.90
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969
2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
CID 81059921
2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 107268896
4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 115282671
2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
CID 81042476
2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile
CID 103525162
4-[2-(azepan-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043474
4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81061309
4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 104828350
4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060937
2,6-dimethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile
CID 81036499
2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile
CID 81060441

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile (CID 103823147) is 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile is CCC(CC)(CNc1cc(C)nc(C)c1C#N)SC.
What is the InChIKey of 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is SPKSBKGOVCCCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-6-15(7-2,19-5)10-17-14-8-11(3)18-12(4)13(14)9-16/h8H,6-7,10H2,1-5H3,(H,17,18).
What are the key properties of 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 277.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 103823147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).