2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione

C13H9N3O2 — CID 44564699

IUPAC2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1Cc1ccncc1
InChIInChI=1S/C13H9N3O2/c17-12-10-3-6-15-7-11(10)13(18)16(12)8-9-1-4-14-5-2-9/h1-7H,8H2
InChIKeyDJWMRJKONXPMIS-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.27
Rot. Bonds2

About 2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione

2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 44564699) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID44564699
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1Cc1ccncc1
InChIInChI=1S/C13H9N3O2/c17-12-10-3-6-15-7-11(10)13(18)16(12)8-9-1-4-14-5-2-9/h1-7H,8H2
InChIKeyDJWMRJKONXPMIS-UHFFFAOYSA-N
XLogP1.27
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 44564699) is 2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione is O=C1c2ccncc2C(=O)N1Cc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is DJWMRJKONXPMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-12-10-3-6-15-7-11(10)13(18)16(12)8-9-1-4-14-5-2-9/h1-7H,8H2.
What are the key properties of 2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 239.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 44564699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).