2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile

C11H10N4O2 — CID 66075430

IUPAC2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile
SMILESCC1C(=O)NC(=O)CN1c1cc(C#N)ccn1
InChIInChI=1S/C11H10N4O2/c1-7-11(17)14-10(16)6-15(7)9-4-8(5-12)2-3-13-9/h2-4,7H,6H2,1H3,(H,14,16,17)
InChIKeyNDRPHOHTBVSKGB-UHFFFAOYSA-N
MW230.23 g/mol
LogP-0.20
Rot. Bonds1

About 2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile

2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile (PubChem CID 66075430) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile
PubChem CID66075430
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile
SMILESCC1C(=O)NC(=O)CN1c1cc(C#N)ccn1
InChIInChI=1S/C11H10N4O2/c1-7-11(17)14-10(16)6-15(7)9-4-8(5-12)2-3-13-9/h2-4,7H,6H2,1H3,(H,14,16,17)
InChIKeyNDRPHOHTBVSKGB-UHFFFAOYSA-N
XLogP-0.20
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile (CID 66075430) is 2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile is CC1C(=O)NC(=O)CN1c1cc(C#N)ccn1.
What is the InChIKey of 2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile?
The InChIKey is NDRPHOHTBVSKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-7-11(17)14-10(16)6-15(7)9-4-8(5-12)2-3-13-9/h2-4,7H,6H2,1H3,(H,14,16,17).
What are the key properties of 2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile?
2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile has a molecular weight of 230.23 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 66075430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).