2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile

C15H19N5 — CID 63344062

IUPAC2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCCC(C#N)N1CCN(c2nc(C)ccc2C#N)CC1
InChIInChI=1S/C15H19N5/c1-3-14(11-17)19-6-8-20(9-7-19)15-13(10-16)5-4-12(2)18-15/h4-5,14H,3,6-9H2,1-2H3
InChIKeyZVZVIKXWUASOGW-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.69
Rot. Bonds3

About 2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile

2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 63344062) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile
PubChem CID63344062
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCCC(C#N)N1CCN(c2nc(C)ccc2C#N)CC1
InChIInChI=1S/C15H19N5/c1-3-14(11-17)19-6-8-20(9-7-19)15-13(10-16)5-4-12(2)18-15/h4-5,14H,3,6-9H2,1-2H3
InChIKeyZVZVIKXWUASOGW-UHFFFAOYSA-N
XLogP1.69
TPSA66.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-[4-(1-cyanopropyl)piperazin-1-yl]benzonitrile
CID 114901227
3-[4-(1-cyanopropyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 63343981
2-chloro-4-[4-(1-cyanopropyl)piperazin-1-yl]benzonitrile
CID 63343668
2-[(3S)-4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-6-methylpyridine-3-carbonitrile
CID 124596688
2-(8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carbonitrile
CID 55159875
2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]butanenitrile
CID 63343842
5-chloro-2-[4-(1-cyanopropyl)piperazin-1-yl]benzonitrile
CID 63343941
2-(4-phthalazin-1-ylpiperazin-1-yl)butanenitrile
CID 63344110
2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 172899335
2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile
CID 62232169
2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 171994335
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile
CID 136519023

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile (CID 63344062) is 2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile is CCC(C#N)N1CCN(c2nc(C)ccc2C#N)CC1.
What is the InChIKey of 2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is ZVZVIKXWUASOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-3-14(11-17)19-6-8-20(9-7-19)15-13(10-16)5-4-12(2)18-15/h4-5,14H,3,6-9H2,1-2H3.
What are the key properties of 2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile?
2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyanopropyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 63344062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).