N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide

C11H11N3O4 — CID 114039160

IUPACN-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCN1C(=O)CC(NC(=O)c2c[nH]ccc2=O)C1=O
InChIInChI=1S/C11H11N3O4/c1-14-9(16)4-7(11(14)18)13-10(17)6-5-12-3-2-8(6)15/h2-3,5,7H,4H2,1H3,(H,12,15)(H,13,17)
InChIKeyJFDJXWZAIDAXAC-UHFFFAOYSA-N
MW249.23 g/mol
LogP-1.14
Rot. Bonds2

About N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide

N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 114039160) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID114039160
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC NameN-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCN1C(=O)CC(NC(=O)c2c[nH]ccc2=O)C1=O
InChIInChI=1S/C11H11N3O4/c1-14-9(16)4-7(11(14)18)13-10(17)6-5-12-3-2-8(6)15/h2-3,5,7H,4H2,1H3,(H,12,15)(H,13,17)
InChIKeyJFDJXWZAIDAXAC-UHFFFAOYSA-N
XLogP-1.14
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide (CID 114039160) is N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide is CN1C(=O)CC(NC(=O)c2c[nH]ccc2=O)C1=O.
What is the InChIKey of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JFDJXWZAIDAXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-14-9(16)4-7(11(14)18)13-10(17)6-5-12-3-2-8(6)15/h2-3,5,7H,4H2,1H3,(H,12,15)(H,13,17).
What are the key properties of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide?
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 249.23 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114039160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).