2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile

C13H12N4O3 — CID 66062893

IUPAC2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2CC(=O)NC(=O)C2C)ccc1C#N
InChIInChI=1S/C13H12N4O3/c1-7-9(5-14)3-4-10(15-7)13(20)17-6-11(18)16-12(19)8(17)2/h3-4,8H,6H2,1-2H3,(H,16,18,19)
InChIKeyASKSROXWZVJHTO-UHFFFAOYSA-N
MW272.26 g/mol
LogP-0.25
Rot. Bonds1

About 2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile

2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile (PubChem CID 66062893) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile
PubChem CID66062893
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2CC(=O)NC(=O)C2C)ccc1C#N
InChIInChI=1S/C13H12N4O3/c1-7-9(5-14)3-4-10(15-7)13(20)17-6-11(18)16-12(19)8(17)2/h3-4,8H,6H2,1-2H3,(H,16,18,19)
InChIKeyASKSROXWZVJHTO-UHFFFAOYSA-N
XLogP-0.25
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66061183
3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione
CID 66060995
3-methyl-4-(pyrimidine-5-carbonyl)piperazine-2,6-dione
CID 102922193
3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 107973133
4-(4-hydrazinylpyridine-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66076054
4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061337
6-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2-methylpyridine-3-carbonitrile
CID 97066130
6-[2-(hydroxymethyl)azepane-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 116636076
4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66062314
3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione
CID 66063481
4-(4-amino-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061873
4-[4-(aminomethyl)benzoyl]-3-methylpiperazine-2,6-dione
CID 66063044

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile (CID 66062893) is 2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile is Cc1nc(C(=O)N2CC(=O)NC(=O)C2C)ccc1C#N.
What is the InChIKey of 2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile?
The InChIKey is ASKSROXWZVJHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-7-9(5-14)3-4-10(15-7)13(20)17-6-11(18)16-12(19)8(17)2/h3-4,8H,6H2,1-2H3,(H,16,18,19).
What are the key properties of 2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile?
2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile has a molecular weight of 272.26 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile is sourced from PubChem (CID 66062893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).