2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile

C11H14N4 — CID 21029562

IUPAC2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile
SMILESCN1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C11H14N4/c1-14-4-6-15(7-5-14)11-8-10(9-12)2-3-13-11/h2-3,8H,4-7H2,1H3
InChIKeyUMQJVBUCVQRYCQ-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.71
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile

2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile (PubChem CID 21029562) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile
PubChem CID21029562
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile
SMILESCN1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C11H14N4/c1-14-4-6-15(7-5-14)11-8-10(9-12)2-3-13-11/h2-3,8H,4-7H2,1H3
InChIKeyUMQJVBUCVQRYCQ-UHFFFAOYSA-N
XLogP0.71
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile (CID 21029562) is 2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile is CN1CCN(c2cc(C#N)ccn2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile?
The InChIKey is UMQJVBUCVQRYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-14-4-6-15(7-5-14)11-8-10(9-12)2-3-13-11/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile?
2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 21029562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).