6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile

C12H16N4 — CID 64983286

IUPAC6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCC1CN(c2ccc(C#N)cn2)C(C)CN1
InChIInChI=1S/C12H16N4/c1-9-8-16(10(2)6-14-9)12-4-3-11(5-13)7-15-12/h3-4,7,9-10,14H,6,8H2,1-2H3
InChIKeyYVYVSMOYUVWSAQ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.14
Rot. Bonds1

About 6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile

6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 64983286) 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-3-carbonitrile.

Molecular Properties

Compound Name6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID64983286
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCC1CN(c2ccc(C#N)cn2)C(C)CN1
InChIInChI=1S/C12H16N4/c1-9-8-16(10(2)6-14-9)12-4-3-11(5-13)7-15-12/h3-4,7,9-10,14H,6,8H2,1-2H3
InChIKeyYVYVSMOYUVWSAQ-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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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile (CID 64983286) is 6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile is CC1CN(c2ccc(C#N)cn2)C(C)CN1.
What is the InChIKey of 6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is YVYVSMOYUVWSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-8-16(10(2)6-14-9)12-4-3-11(5-13)7-15-12/h3-4,7,9-10,14H,6,8H2,1-2H3.
What are the key properties of 6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile?
6-(2,5-dimethylpiperazin-1-yl)pyridine-3-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-3-carbonitrile is sourced from PubChem (CID 64983286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).