5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile

C12H16N4 — CID 102544875

IUPAC5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(C#N)cnc1N1CCN(C)CC1
InChIInChI=1S/C12H16N4/c1-10-7-11(8-13)9-14-12(10)16-5-3-15(2)4-6-16/h7,9H,3-6H2,1-2H3
InChIKeyYMPYEPAXFYURBU-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.01
Rot. Bonds1

About 5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile

5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 102544875) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID102544875
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(C#N)cnc1N1CCN(C)CC1
InChIInChI=1S/C12H16N4/c1-10-7-11(8-13)9-14-12(10)16-5-3-15(2)4-6-16/h7,9H,3-6H2,1-2H3
InChIKeyYMPYEPAXFYURBU-UHFFFAOYSA-N
XLogP1.01
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 176693130
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile
CID 102545053
6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile
CID 143982857
(1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
CID 124501485
5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 62477029
6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile
CID 102545068
2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile
CID 123677104
5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile
CID 177335038
2-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carbonitrile
CID 171095844
N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80628155
1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile
CID 170925735
6-(4-hydroxy-2-oxopyrrolidin-1-yl)-5-methylpyridine-3-carbonitrile
CID 168702638

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile (CID 102544875) is 5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile is Cc1cc(C#N)cnc1N1CCN(C)CC1.
What is the InChIKey of 5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is YMPYEPAXFYURBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10-7-11(8-13)9-14-12(10)16-5-3-15(2)4-6-16/h7,9H,3-6H2,1-2H3.
What are the key properties of 5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 102544875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).