5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione

C26H14N4O4 — CID 2832517

IUPAC5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione
SMILESO=C1c2ccc(-c3ccc4c(c3)C(=O)N(c3ccccn3)C4=O)cc2C(=O)N1c1ccccn1
InChIInChI=1S/C26H14N4O4/c31-23-17-9-7-15(13-19(17)25(33)29(23)21-5-1-3-11-27-21)16-8-10-18-20(14-16)26(34)30(24(18)32)22-6-2-4-12-28-22/h1-14H
InChIKeyBZMJLKPYYXYNET-UHFFFAOYSA-N
MW446.42 g/mol
LogP3.74
Rot. Bonds3

About 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione

5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione (PubChem CID 2832517) has the molecular formula C26H14N4O4 and a molecular weight of 446.42 g/mol. Its IUPAC name is 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione
PubChem CID2832517
Molecular FormulaC26H14N4O4
Molecular Weight446.42 g/mol
Exact Mass446.10
IUPAC Name5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione
SMILESO=C1c2ccc(-c3ccc4c(c3)C(=O)N(c3ccccn3)C4=O)cc2C(=O)N1c1ccccn1
InChIInChI=1S/C26H14N4O4/c31-23-17-9-7-15(13-19(17)25(33)29(23)21-5-1-3-11-27-21)16-8-10-18-20(14-16)26(34)30(24(18)32)22-6-2-4-12-28-22/h1-14H
InChIKeyBZMJLKPYYXYNET-UHFFFAOYSA-N
XLogP3.74
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione?
The IUPAC name of 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione (CID 2832517) is 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione.
What is the SMILES notation for 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione?
The canonical SMILES for 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione is O=C1c2ccc(-c3ccc4c(c3)C(=O)N(c3ccccn3)C4=O)cc2C(=O)N1c1ccccn1.
What is the InChIKey of 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione?
The InChIKey is BZMJLKPYYXYNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N4O4/c31-23-17-9-7-15(13-19(17)25(33)29(23)21-5-1-3-11-27-21)16-8-10-18-20(14-16)26(34)30(24(18)32)22-6-2-4-12-28-22/h1-14H.
What are the key properties of 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione?
5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione has a molecular weight of 446.42 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)-2-pyridin-2-ylisoindole-1,3-dione is sourced from PubChem (CID 2832517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).