3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide

C18H16N4O3 — CID 113082706

IUPAC3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(N2C(=O)c3cccnc3C2=O)C1
InChIInChI=1S/C18H16N4O3/c23-16-14-7-4-9-19-15(14)17(24)22(16)13-8-10-21(11-13)18(25)20-12-5-2-1-3-6-12/h1-7,9,13H,8,10-11H2,(H,20,25)
InChIKeyGPDROMHRZCHSPZ-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.98
Rot. Bonds2

About 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide

3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide (PubChem CID 113082706) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide
PubChem CID113082706
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(N2C(=O)c3cccnc3C2=O)C1
InChIInChI=1S/C18H16N4O3/c23-16-14-7-4-9-19-15(14)17(24)22(16)13-8-10-21(11-13)18(25)20-12-5-2-1-3-6-12/h1-7,9,13H,8,10-11H2,(H,20,25)
InChIKeyGPDROMHRZCHSPZ-UHFFFAOYSA-N
XLogP1.98
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide 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

6-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082685
6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082569
6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082660
6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082668
6-(1-methylsulfonylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082631
6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082608
6-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082613
N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
CID 59764610
N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione
CID 113082746
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide (CID 113082706) is 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(N2C(=O)c3cccnc3C2=O)C1.
What is the InChIKey of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is GPDROMHRZCHSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-16-14-7-4-9-19-15(14)17(24)22(16)13-8-10-21(11-13)18(25)20-12-5-2-1-3-6-12/h1-7,9,13H,8,10-11H2,(H,20,25).
What are the key properties of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide?
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 113082706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).