2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile

C15H22N4 — CID 81060173

IUPAC2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(N2CCN(C(C)C)CC2)c(C#N)c(C)n1
InChIInChI=1S/C15H22N4/c1-11(2)18-5-7-19(8-6-18)15-9-12(3)17-13(4)14(15)10-16/h9,11H,5-8H2,1-4H3
InChIKeyAAAKHCCYBUBRJY-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.10
Rot. Bonds2

About 2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile

2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 81060173) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID81060173
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(N2CCN(C(C)C)CC2)c(C#N)c(C)n1
InChIInChI=1S/C15H22N4/c1-11(2)18-5-7-19(8-6-18)15-9-12(3)17-13(4)14(15)10-16/h9,11H,5-8H2,1-4H3
InChIKeyAAAKHCCYBUBRJY-UHFFFAOYSA-N
XLogP2.10
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-(1-piperidinyl)-
CID 660777
2,6-Dimethylpyridine-4-carbonitrile
CID 12368542
2,4,6-Trimethyl-1-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)butyl]pyridin-1-ium
CID 4554221
3-Pyridinecarbonitrile, 2,6-dimethyl-4-(4-thiomorpholinyl)-, monohydrochloride
CID 3058690
3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-pyrrolidinyl)-, 1-oxide, monohydrochloride
CID 3064972
3-Pyridinecarbonitrile, 2,6-dimethyl-4-(1-piperidinyl)-, 1-oxide, monohydrochloride
CID 3064974
4-(Azepan-1-yl)-2,6-dimethyl-1-oxo-1lambda~5~-pyridine-3-carbonitrile
CID 3064976
3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, trihydrochloride
CID 3066625
1-(2,6-Dimethyl-4-pyridinyl)-4-(1-propyl-4-piperidinyl)piperazine
CID 28394067
2,6-Diphenyl-4-(1-piperidyl)pyridine-3-carbonitrile
CID 46839025
4-[4-(1-Pyridin-3-ylethyl)piperazin-1-yl]butanenitrile
CID 71873675
2-Phenyl-4-(1-piperidyl)-6-(p-tolyl)pyridine-3-carbonitrile
CID 72374981

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile (CID 81060173) is 2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile is Cc1cc(N2CCN(C(C)C)CC2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is AAAKHCCYBUBRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11(2)18-5-7-19(8-6-18)15-9-12(3)17-13(4)14(15)10-16/h9,11H,5-8H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile?
2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 81060173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).