2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile

C15H22N4 — CID 81061136

IUPAC2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCC2CCCCN2C)c(C#N)c(C)n1
InChIInChI=1S/C15H22N4/c1-11-8-15(14(9-16)12(2)18-11)17-10-13-6-4-5-7-19(13)3/h8,13H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyHAHYTKOGZDQJFN-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.47
Rot. Bonds3

About 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile

2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 81061136) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile
PubChem CID81061136
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCC2CCCCN2C)c(C#N)c(C)n1
InChIInChI=1S/C15H22N4/c1-11-8-15(14(9-16)12(2)18-11)17-10-13-6-4-5-7-19(13)3/h8,13H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyHAHYTKOGZDQJFN-UHFFFAOYSA-N
XLogP2.47
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[2-(azepan-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043474
4-methyl-3-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 62658328
2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]benzonitrile
CID 106024724
5-fluoro-2-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 63672584
4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052089
4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052564
2-bromo-6-[(1-methylpyrrolidin-2-yl)methylamino]benzonitrile
CID 106024686
4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060746
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969
5,7-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97190031

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile (CID 81061136) is 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile is Cc1cc(NCC2CCCCN2C)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is HAHYTKOGZDQJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11-8-15(14(9-16)12(2)18-11)17-10-13-6-4-5-7-19(13)3/h8,13H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 81061136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).