4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile

C18H20N4 — CID 2816057

IUPAC4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C18H20N4/c1-14-12-15(2)20-18(17(14)13-19)22-10-8-21(9-11-22)16-6-4-3-5-7-16/h3-7,12H,8-11H2,1-2H3
InChIKeyJJNBKHLHTZGLSJ-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.90
Rot. Bonds2

About 4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile

4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 2816057) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID2816057
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C18H20N4/c1-14-12-15(2)20-18(17(14)13-19)22-10-8-21(9-11-22)16-6-4-3-5-7-16/h3-7,12H,8-11H2,1-2H3
InChIKeyJJNBKHLHTZGLSJ-UHFFFAOYSA-N
XLogP2.90
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile (CID 2816057) is 4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is JJNBKHLHTZGLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-14-12-15(2)20-18(17(14)13-19)22-10-8-21(9-11-22)16-6-4-3-5-7-16/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 292.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 2816057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).