6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

C15H13N3O2 — CID 103145268

IUPAC6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCc1cc(N2C(=O)c3cccnc3C2=O)c(C)cc1N
InChIInChI=1S/C15H13N3O2/c1-8-7-12(9(2)6-11(8)16)18-14(19)10-4-3-5-17-13(10)15(18)20/h3-7H,16H2,1-2H3
InChIKeyPOKCODRNYAJEQS-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.08
Rot. Bonds1

About 6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 103145268) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID103145268
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCc1cc(N2C(=O)c3cccnc3C2=O)c(C)cc1N
InChIInChI=1S/C15H13N3O2/c1-8-7-12(9(2)6-11(8)16)18-14(19)10-4-3-5-17-13(10)15(18)20/h3-7H,16H2,1-2H3
InChIKeyPOKCODRNYAJEQS-UHFFFAOYSA-N
XLogP2.08
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 103145268) is 6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is Cc1cc(N2C(=O)c3cccnc3C2=O)c(C)cc1N.
What is the InChIKey of 6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is POKCODRNYAJEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-8-7-12(9(2)6-11(8)16)18-14(19)10-4-3-5-17-13(10)15(18)20/h3-7H,16H2,1-2H3.
What are the key properties of 6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 267.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 103145268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).