6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile

C14H19N3S — CID 114237200

IUPAC6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile
SMILESCSC1CCCN(c2nc(C)ccc2C#N)CC1
InChIInChI=1S/C14H19N3S/c1-11-5-6-12(10-15)14(16-11)17-8-3-4-13(18-2)7-9-17/h5-6,13H,3-4,7-9H2,1-2H3
InChIKeyGJBJXILMVSUDKX-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.98
Rot. Bonds2

About 6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile

6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile (PubChem CID 114237200) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile
PubChem CID114237200
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile
SMILESCSC1CCCN(c2nc(C)ccc2C#N)CC1
InChIInChI=1S/C14H19N3S/c1-11-5-6-12(10-15)14(16-11)17-8-3-4-13(18-2)7-9-17/h5-6,13H,3-4,7-9H2,1-2H3
InChIKeyGJBJXILMVSUDKX-UHFFFAOYSA-N
XLogP2.98
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 113343675
2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 172899335
2-(8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carbonitrile
CID 55159875
2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile
CID 107404520
6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 115300809
6-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 125141410
6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile
CID 115871169
6-methyl-2-[4-(3-methylsulfanylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 72932015
pent-4-ynyl 1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 75375987
N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166602579
4-(4-methylsulfanylazepan-1-yl)pyridine-2-carbonitrile
CID 114237214
[1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane
CID 144625430

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile (CID 114237200) is 6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile is CSC1CCCN(c2nc(C)ccc2C#N)CC1.
What is the InChIKey of 6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile?
The InChIKey is GJBJXILMVSUDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-5-6-12(10-15)14(16-11)17-8-3-4-13(18-2)7-9-17/h5-6,13H,3-4,7-9H2,1-2H3.
What are the key properties of 6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile?
6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile has a molecular weight of 261.39 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 114237200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).