2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide

C15H11N3O3 — CID 1147586

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cccnc1
InChIInChI=1S/C15H11N3O3/c19-13(17-10-4-3-7-16-8-10)9-18-14(20)11-5-1-2-6-12(11)15(18)21/h1-8H,9H2,(H,17,19)
InChIKeyAAKUOVDEBIZSJE-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.32
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide

2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide (PubChem CID 1147586) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide
PubChem CID1147586
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cccnc1
InChIInChI=1S/C15H11N3O3/c19-13(17-10-4-3-7-16-8-10)9-18-14(20)11-5-1-2-6-12(11)15(18)21/h1-8H,9H2,(H,17,19)
InChIKeyAAKUOVDEBIZSJE-UHFFFAOYSA-N
XLogP1.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
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 2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide (CID 1147586) is 2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccnc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide?
The InChIKey is AAKUOVDEBIZSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-13(17-10-4-3-7-16-8-10)9-18-14(20)11-5-1-2-6-12(11)15(18)21/h1-8H,9H2,(H,17,19).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide?
2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide has a molecular weight of 281.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 1147586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).