2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile

C14H22N6 — CID 2808518

IUPAC2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile
SMILESCN(C)c1cc(N2CCNCC2)nc(N(C)C)c1C#N
InChIInChI=1S/C14H22N6/c1-18(2)12-9-13(20-7-5-16-6-8-20)17-14(19(3)4)11(12)10-15/h9,16H,5-8H2,1-4H3
InChIKeyZSIZMGHQWQOUSQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.49
Rot. Bonds3

About 2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile

2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile (PubChem CID 2808518) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile
PubChem CID2808518
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile
SMILESCN(C)c1cc(N2CCNCC2)nc(N(C)C)c1C#N
InChIInChI=1S/C14H22N6/c1-18(2)12-9-13(20-7-5-16-6-8-20)17-14(19(3)4)11(12)10-15/h9,16H,5-8H2,1-4H3
InChIKeyZSIZMGHQWQOUSQ-UHFFFAOYSA-N
XLogP0.49
TPSA58.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-piperazin-1-ylpyrazine-2-carbonitrile
CID 90674675
6-piperazin-1-ylpyrimidine-4-carbonitrile
CID 126980969
2-N,2-N,3-N,3-N-tetraethyl-6-piperazin-1-ylpyridine-2,3-diamine
CID 14654942
2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 53368505
2-(5-chloro-2-methylsulfanylanilino)-6-piperazin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 171788171
N,N,2-trimethyl-5-piperazin-1-ylaniline
CID 115378435
6-piperazin-1-ylpyrimidine-2,4-diamine
CID 21363888
N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine
CID 82572802
N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine
CID 83726827
N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine
CID 22418791
(2-hydrazinyl-6-piperazin-1-ylpyrimidin-4-yl)hydrazine
CID 23198073
2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine
CID 77231452

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile (CID 2808518) is 2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile is CN(C)c1cc(N2CCNCC2)nc(N(C)C)c1C#N.
What is the InChIKey of 2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile?
The InChIKey is ZSIZMGHQWQOUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-18(2)12-9-13(20-7-5-16-6-8-20)17-14(19(3)4)11(12)10-15/h9,16H,5-8H2,1-4H3.
What are the key properties of 2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile?
2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 2808518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).