6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile

C12H16N4 — CID 64983613

IUPAC6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESCC1CN(c2cccc(C#N)n2)C(C)CN1
InChIInChI=1S/C12H16N4/c1-9-8-16(10(2)7-14-9)12-5-3-4-11(6-13)15-12/h3-5,9-10,14H,7-8H2,1-2H3
InChIKeyYHYCWTVPPZCVRS-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.14
Rot. Bonds1

About 6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile

6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile (PubChem CID 64983613) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
PubChem CID64983613
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESCC1CN(c2cccc(C#N)n2)C(C)CN1
InChIInChI=1S/C12H16N4/c1-9-8-16(10(2)7-14-9)12-5-3-4-11(6-13)15-12/h3-5,9-10,14H,7-8H2,1-2H3
InChIKeyYHYCWTVPPZCVRS-UHFFFAOYSA-N
XLogP1.14
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile
CID 150768660
6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane
CID 168909423
6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 64983286
6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64978952
6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 64589835
8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-fluoro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;dihydrochloride
CID 146466644
6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64595716
4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile
CID 106596041
6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile
CID 146386502
6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64589848
1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742720
(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443898

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile (CID 64983613) is 6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile is CC1CN(c2cccc(C#N)n2)C(C)CN1.
What is the InChIKey of 6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile?
The InChIKey is YHYCWTVPPZCVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-8-16(10(2)7-14-9)12-5-3-4-11(6-13)15-12/h3-5,9-10,14H,7-8H2,1-2H3.
What are the key properties of 6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile?
6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 64983613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).