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

C14H11N3O4 — CID 169327067

IUPAC4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCOc1cccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1
InChIInChI=1S/C14H11N3O4/c1-21-8-4-2-3-7(5-8)17-10(18)6-9-11(12(17)15)14(20)16-13(9)19/h2-6H,15H2,1H3,(H,16,19,20)
InChIKeyRHYZRWOTBLFHBV-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.31
Rot. Bonds2

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

4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169327067) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169327067
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCOc1cccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1
InChIInChI=1S/C14H11N3O4/c1-21-8-4-2-3-7(5-8)17-10(18)6-9-11(12(17)15)14(20)16-13(9)19/h2-6H,15H2,1H3,(H,16,19,20)
InChIKeyRHYZRWOTBLFHBV-UHFFFAOYSA-N
XLogP0.31
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.31
H-Bond Donors ≤ 52
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 4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169327067) is 4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is COc1cccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1.
What is the InChIKey of 4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is RHYZRWOTBLFHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c1-21-8-4-2-3-7(5-8)17-10(18)6-9-11(12(17)15)14(20)16-13(9)19/h2-6H,15H2,1H3,(H,16,19,20).
What are the key properties of 4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 285.26 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169327067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).