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

C15H22N4 — CID 60658707

IUPAC4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCCCN1CCN(c2nc(C)cc(C)c2C#N)CC1
InChIInChI=1S/C15H22N4/c1-4-5-18-6-8-19(9-7-18)15-14(11-16)12(2)10-13(3)17-15/h10H,4-9H2,1-3H3
InChIKeyNWSRBMPQWBHTDA-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.10
Rot. Bonds3

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

4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 60658707) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID60658707
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCCCN1CCN(c2nc(C)cc(C)c2C#N)CC1
InChIInChI=1S/C15H22N4/c1-4-5-18-6-8-19(9-7-18)15-14(11-16)12(2)10-13(3)17-15/h10H,4-9H2,1-3H3
InChIKeyNWSRBMPQWBHTDA-UHFFFAOYSA-N
XLogP2.10
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.10
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-propylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile (CID 60658707) is 4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile is CCCN1CCN(c2nc(C)cc(C)c2C#N)CC1.
What is the InChIKey of 4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is NWSRBMPQWBHTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-5-18-6-8-19(9-7-18)15-14(11-16)12(2)10-13(3)17-15/h10H,4-9H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile?
4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.10, 3 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-propylpiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 60658707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).