6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile

C14H18N4O2 — CID 82147361

IUPAC6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1CCC(=O)N1CCNCC1
InChIInChI=1S/C14H18N4O2/c1-11-2-3-12(10-15)14(20)18(11)7-4-13(19)17-8-5-16-6-9-17/h2-3,16H,4-9H2,1H3
InChIKeyVFFHIHJPJJTYRM-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.15
Rot. Bonds3

About 6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile

6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile (PubChem CID 82147361) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile
PubChem CID82147361
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1CCC(=O)N1CCNCC1
InChIInChI=1S/C14H18N4O2/c1-11-2-3-12(10-15)14(20)18(11)7-4-13(19)17-8-5-16-6-9-17/h2-3,16H,4-9H2,1H3
InChIKeyVFFHIHJPJJTYRM-UHFFFAOYSA-N
XLogP-0.15
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-cyano-6-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 82147473
4-methyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzonitrile
CID 62309036
1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099513
6-methyl-1-(3-methylsulfanylpropyl)-2-oxopyridine-3-carbonitrile
CID 107072997
6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile
CID 107072857
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide
CID 82099388
6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 94751445
5-fluoro-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzonitrile
CID 63674652
1-(2-amino-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 82146932
1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 106439931
4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile
CID 83927436
1-[2-(4-bromophenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072852

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile (CID 82147361) is 6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile is Cc1ccc(C#N)c(=O)n1CCC(=O)N1CCNCC1.
What is the InChIKey of 6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile?
The InChIKey is VFFHIHJPJJTYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-2-3-12(10-15)14(20)18(11)7-4-13(19)17-8-5-16-6-9-17/h2-3,16H,4-9H2,1H3.
What are the key properties of 6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile?
6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile has a molecular weight of 274.32 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82147361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).