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

C15H13N3O3 — CID 61032407

IUPAC6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESNc1cccc(OCCN2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C15H13N3O3/c16-10-3-1-4-11(9-10)21-8-7-18-14(19)12-5-2-6-17-13(12)15(18)20/h1-6,9H,7-8,16H2
InChIKeyZRFDQJRAOFASCB-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.34
Rot. Bonds4

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

6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 61032407) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID61032407
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESNc1cccc(OCCN2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C15H13N3O3/c16-10-3-1-4-11(9-10)21-8-7-18-14(19)12-5-2-6-17-13(12)15(18)20/h1-6,9H,7-8,16H2
InChIKeyZRFDQJRAOFASCB-UHFFFAOYSA-N
XLogP1.34
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 62498637
2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione
CID 69097570
6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 61206961
6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 2133484
2-[2-(3-bromophenoxy)ethyl]isoindole-1,3-dione;ethane
CID 91468658
5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734464
3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline
CID 62677754
6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione
CID 106220357
6-[[4-(aminomethyl)phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 60998117
phenyl N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]carbamate
CID 121022932
3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43365740
1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one
CID 60875846

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 61032407) is 6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione is Nc1cccc(OCCN2C(=O)c3cccnc3C2=O)c1.
What is the InChIKey of 6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is ZRFDQJRAOFASCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c16-10-3-1-4-11(9-10)21-8-7-18-14(19)12-5-2-6-17-13(12)15(18)20/h1-6,9H,7-8,16H2.
What are the key properties of 6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 283.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 61032407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).