4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione

C19H13N3O3 — CID 169327164

IUPAC4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1ccccc1-c1ccccc1)C(=O)NC2=O
InChIInChI=1S/C19H13N3O3/c20-17-16-13(18(24)21-19(16)25)10-15(23)22(17)14-9-5-4-8-12(14)11-6-2-1-3-7-11/h1-10H,20H2,(H,21,24,25)
InChIKeySDILOIGEXYSFSW-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.97
Rot. Bonds2

About 4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169327164) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169327164
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1ccccc1-c1ccccc1)C(=O)NC2=O
InChIInChI=1S/C19H13N3O3/c20-17-16-13(18(24)21-19(16)25)10-15(23)22(17)14-9-5-4-8-12(14)11-6-2-1-3-7-11/h1-10H,20H2,(H,21,24,25)
InChIKeySDILOIGEXYSFSW-UHFFFAOYSA-N
XLogP1.97
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione
CID 3237536
6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 3237685
6-(2,3-dihydroindol-1-yl)-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione
CID 5207465
1-(2-Phenylphenyl)azolidine-2,5-dione
CID 683416
1-([1,1'-Biphenyl]-2-yl)-1H-pyrrole-2,5-dione
CID 13059262
1-[(4-Phenylanilino)methyl]pyrrolidine-2,5-dione
CID 684003
5-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3-phenylpyrimidine-2,4(1H,3H)-dione
CID 3242025
1-[Anilino(phenyl)methyl]pyrrolidine-2,5-dione
CID 4087246
(5E)-5-benzylidene-1-phenylimidazolidine-2,4-dione
CID 44227381
(5Z)-5-benzylidene-1-phenylimidazolidine-2,4-dione
CID 44227382
2-(4-oxo-1H-quinolin-2-yl)isoindole-1,3-dione
CID 44246496
2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione
CID 748644

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169327164) is 4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is Nc1c2c(cc(=O)n1-c1ccccc1-c1ccccc1)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is SDILOIGEXYSFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c20-17-16-13(18(24)21-19(16)25)10-15(23)22(17)14-9-5-4-8-12(14)11-6-2-1-3-7-11/h1-10H,20H2,(H,21,24,25).
What are the key properties of 4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 331.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169327164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).