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

C13H16N4O — CID 114766284

IUPAC2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C13H16N4O/c1-9-6-10(8-14)7-11(16-9)17-5-4-15-12(18)13(17,2)3/h6-7H,4-5H2,1-3H3,(H,15,18)
InChIKeyGICBXZILDPZHFJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.98
Rot. Bonds1

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

2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile (PubChem CID 114766284) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile
PubChem CID114766284
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C13H16N4O/c1-9-6-10(8-14)7-11(16-9)17-5-4-15-12(18)13(17,2)3/h6-7H,4-5H2,1-3H3,(H,15,18)
InChIKeyGICBXZILDPZHFJ-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile (CID 114766284) is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(N2CCNC(=O)C2(C)C)n1.
What is the InChIKey of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile?
The InChIKey is GICBXZILDPZHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-6-10(8-14)7-11(16-9)17-5-4-15-12(18)13(17,2)3/h6-7H,4-5H2,1-3H3,(H,15,18).
What are the key properties of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile?
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).