2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

C15H23N5 — CID 63899165

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C15H23N5/c1-11-7-12(2)18-15(14(11)8-16)17-9-13-10-19(3)5-6-20(13)4/h7,13H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyGPHNOLNVKDOYAJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.23
Rot. Bonds3

About 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 63899165) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID63899165
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C15H23N5/c1-11-7-12(2)18-15(14(11)8-16)17-9-13-10-19(3)5-6-20(13)4/h7,13H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyGPHNOLNVKDOYAJ-UHFFFAOYSA-N
XLogP1.23
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
2-Amino-4,6-dimethyl-3-pyridinecarbonitrile
CID 230471
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
4,6-Dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile
CID 2013066
4-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 25130235
4-[2-Amino-6-(piperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 25130576
2-(Piperazin-1-yl)-5,6,7,8-tetrahydroquinoline
CID 46228433
3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]-5-{2-[4-Methyl-6-(Methylamino)pyridin-2-Yl]ethyl}benzonitrile
CID 86346620
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)-5-(Methyl(2-(Methylamino)ethyl)amino)benzonitrile
CID 91808026
4-Methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine
CID 158447564

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 63899165) is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCC2CN(C)CCN2C)n1.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is GPHNOLNVKDOYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-11-7-12(2)18-15(14(11)8-16)17-9-13-10-19(3)5-6-20(13)4/h7,13H,5-6,9-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 63899165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).