6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione

C17H21N3O3 — CID 113082660

IUPAC6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCCC(CC)C(=O)N1CCC(N2C(=O)c3cccnc3C2=O)C1
InChIInChI=1S/C17H21N3O3/c1-3-11(4-2)15(21)19-9-7-12(10-19)20-16(22)13-6-5-8-18-14(13)17(20)23/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3
InChIKeyPMTKYRZOMZASGB-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.71
Rot. Bonds4

About 6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione

6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 113082660) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID113082660
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCCC(CC)C(=O)N1CCC(N2C(=O)c3cccnc3C2=O)C1
InChIInChI=1S/C17H21N3O3/c1-3-11(4-2)15(21)19-9-7-12(10-19)20-16(22)13-6-5-8-18-14(13)17(20)23/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3
InChIKeyPMTKYRZOMZASGB-UHFFFAOYSA-N
XLogP1.71
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082500
6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082569
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide
CID 113082706
6-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082685
6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082668
6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082603
6-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082613
6-(1-methylsulfonylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082631
2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
CID 53186816
2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione
CID 113082746
6-(1-butylsulfonylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082634
6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082608

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 113082660) is 6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione is CCC(CC)C(=O)N1CCC(N2C(=O)c3cccnc3C2=O)C1.
What is the InChIKey of 6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is PMTKYRZOMZASGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-11(4-2)15(21)19-9-7-12(10-19)20-16(22)13-6-5-8-18-14(13)17(20)23/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3.
What are the key properties of 6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 315.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 113082660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).