2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile

C14H19N3S — CID 114123234

IUPAC2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile
SMILESCSC1CCCCC1Nc1cc(C#N)cc(C)n1
InChIInChI=1S/C14H19N3S/c1-10-7-11(9-15)8-14(16-10)17-12-5-3-4-6-13(12)18-2/h7-8,12-13H,3-6H2,1-2H3,(H,16,17)
InChIKeyFFTDMZRRYGDEAC-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.35
Rot. Bonds3

About 2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile

2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile (PubChem CID 114123234) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile
PubChem CID114123234
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile
SMILESCSC1CCCCC1Nc1cc(C#N)cc(C)n1
InChIInChI=1S/C14H19N3S/c1-10-7-11(9-15)8-14(16-10)17-12-5-3-4-6-13(12)18-2/h7-8,12-13H,3-6H2,1-2H3,(H,16,17)
InChIKeyFFTDMZRRYGDEAC-UHFFFAOYSA-N
XLogP3.35
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile
CID 114769770
2-methyl-6-[(2-methylcyclopropyl)amino]pyridine-4-carbonitrile
CID 114766194
2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
CID 114770152
2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile
CID 166248410
2-methyl-6-(piperidin-4-ylamino)pyridine-4-carbonitrile
CID 114769931
2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile
CID 114768292
2-methyl-N-(2-methylsulfanylcyclohexyl)pyridin-4-amine
CID 104924401
1,5-dimethyl-N-(2-methylsulfanylcyclohexyl)pyrazol-3-amine
CID 115922008
2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile
CID 114766475
5-fluoro-2-[(2-methylsulfanylcyclohexyl)amino]benzonitrile
CID 103703350
N-(2-methylsulfanylcyclohexyl)pyridazin-3-amine
CID 103703351
4-methyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103703993

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile (CID 114123234) is 2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile is CSC1CCCCC1Nc1cc(C#N)cc(C)n1.
What is the InChIKey of 2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile?
The InChIKey is FFTDMZRRYGDEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-7-11(9-15)8-14(16-10)17-12-5-3-4-6-13(12)18-2/h7-8,12-13H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile?
2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile has a molecular weight of 261.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 114123234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).