2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione

C12H8N4O2 — CID 63303443

IUPAC2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESNc1cnccc1N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C12H8N4O2/c13-9-6-15-4-2-10(9)16-11(17)7-1-3-14-5-8(7)12(16)18/h1-6H,13H2
InChIKeyXKOJLXLVXBHDAJ-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.86
Rot. Bonds1

About 2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione

2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 63303443) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID63303443
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESNc1cnccc1N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C12H8N4O2/c13-9-6-15-4-2-10(9)16-11(17)7-1-3-14-5-8(7)12(16)18/h1-6H,13H2
InChIKeyXKOJLXLVXBHDAJ-UHFFFAOYSA-N
XLogP0.86
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 63303443) is 2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione is Nc1cnccc1N1C(=O)c2ccncc2C1=O.
What is the InChIKey of 2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is XKOJLXLVXBHDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c13-9-6-15-4-2-10(9)16-11(17)7-1-3-14-5-8(7)12(16)18/h1-6H,13H2.
What are the key properties of 2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 240.22 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 63303443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).