2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide

C18H17N3O4 — CID 113201840

IUPAC2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CN2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C18H17N3O4/c1-25-13-5-2-4-12(10-13)7-9-19-15(22)11-21-17(23)14-6-3-8-20-16(14)18(21)24/h2-6,8,10H,7,9,11H2,1H3,(H,19,22)
InChIKeyZMBUTOKLXZUCOT-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.05
Rot. Bonds6

About 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 113201840) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID113201840
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CN2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C18H17N3O4/c1-25-13-5-2-4-12(10-13)7-9-19-15(22)11-21-17(23)14-6-3-8-20-16(14)18(21)24/h2-6,8,10H,7,9,11H2,1H3,(H,19,22)
InChIKeyZMBUTOKLXZUCOT-UHFFFAOYSA-N
XLogP1.05
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202565
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113201848
2-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 166807912
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide
CID 108948737
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea
CID 47248692
2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112529631
N-(5-chloro-2-methoxyphenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201914
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059
2-(4-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 113201840) is 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)CN2C(=O)c3cccnc3C2=O)c1.
What is the InChIKey of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is ZMBUTOKLXZUCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-25-13-5-2-4-12(10-13)7-9-19-15(22)11-21-17(23)14-6-3-8-20-16(14)18(21)24/h2-6,8,10H,7,9,11H2,1H3,(H,19,22).
What are the key properties of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 339.35 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113201840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).