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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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).