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

C13H16N4O — CID 55217676

IUPAC4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCNC(=O)C2C)n1
InChIInChI=1S/C13H16N4O/c1-8-6-9(2)16-12(11(8)7-14)17-5-4-15-13(18)10(17)3/h6,10H,4-5H2,1-3H3,(H,15,18)
InChIKeyXMHSYXLMIJEZLU-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.89
Rot. Bonds1

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

4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 55217676) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID55217676
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCNC(=O)C2C)n1
InChIInChI=1S/C13H16N4O/c1-8-6-9(2)16-12(11(8)7-14)17-5-4-15-13(18)10(17)3/h6,10H,4-5H2,1-3H3,(H,15,18)
InChIKeyXMHSYXLMIJEZLU-UHFFFAOYSA-N
XLogP0.89
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-(5-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 60706426
4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile
CID 103195610
2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 55061903
2-(2-methyl-3-oxopiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 71977916
2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 61175735
4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one
CID 56879526
2-(2-methyl-3-oxopiperazin-1-yl)benzonitrile
CID 55217483
2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 63604743
2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658562
5-amino-2-(2-methyl-3-oxopiperazin-1-yl)benzonitrile
CID 55215923
2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 65463221

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile (CID 55217676) is 4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCNC(=O)C2C)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is XMHSYXLMIJEZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-6-9(2)16-12(11(8)7-14)17-5-4-15-13(18)10(17)3/h6,10H,4-5H2,1-3H3,(H,15,18).
What are the key properties of 4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 55217676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).