N-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide

C16H12N2O4 — CID 159717478

IUPACN-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide
SMILESO=C1CC=C(NC(=O)C(=O)C2=CCc3ccccc32)C(=O)N1
InChIInChI=1S/C16H12N2O4/c19-13-8-7-12(15(21)18-13)17-16(22)14(20)11-6-5-9-3-1-2-4-10(9)11/h1-4,6-7H,5,8H2,(H,17,22)(H,18,19,21)
InChIKeyQERAGEYMVIIJOL-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.24
Rot. Bonds3

About N-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide

N-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide (PubChem CID 159717478) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide
PubChem CID159717478
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC NameN-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide
SMILESO=C1CC=C(NC(=O)C(=O)C2=CCc3ccccc32)C(=O)N1
InChIInChI=1S/C16H12N2O4/c19-13-8-7-12(15(21)18-13)17-16(22)14(20)11-6-5-9-3-1-2-4-10(9)11/h1-4,6-7H,5,8H2,(H,17,22)(H,18,19,21)
InChIKeyQERAGEYMVIIJOL-UHFFFAOYSA-N
XLogP0.24
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide (CID 159717478) is N-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide is O=C1CC=C(NC(=O)C(=O)C2=CCc3ccccc32)C(=O)N1.
What is the InChIKey of N-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide?
The InChIKey is QERAGEYMVIIJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-13-8-7-12(15(21)18-13)17-16(22)14(20)11-6-5-9-3-1-2-4-10(9)11/h1-4,6-7H,5,8H2,(H,17,22)(H,18,19,21).
What are the key properties of N-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide?
N-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide has a molecular weight of 296.28 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxo-3H-pyridin-5-yl)-2-(3H-inden-1-yl)-2-oxoacetamide is sourced from PubChem (CID 159717478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).