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

C15H10FN3O3 — CID 113201904

IUPAC2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)c2cccnc2C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H10FN3O3/c16-9-3-5-10(6-4-9)18-12(20)8-19-14(21)11-2-1-7-17-13(11)15(19)22/h1-7H,8H2,(H,18,20)
InChIKeyXTIJVXYSIBZUJI-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.46
Rot. Bonds3

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

2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 113201904) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide
PubChem CID113201904
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)c2cccnc2C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H10FN3O3/c16-9-3-5-10(6-4-9)18-12(20)8-19-14(21)11-2-1-7-17-13(11)15(19)22/h1-7H,8H2,(H,18,20)
InChIKeyXTIJVXYSIBZUJI-UHFFFAOYSA-N
XLogP1.46
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201938
N-(2,6-difluorophenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201972
N-(3-bromo-4-methylphenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201916
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 166183455
N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202622
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 113202585
N-(3-chloro-2-methylphenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201908
methyl 2-[[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]benzoate
CID 113201934
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide
CID 42052502
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2989674
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113202630
6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 2133484

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide (CID 113201904) is 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide is O=C(CN1C(=O)c2cccnc2C1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is XTIJVXYSIBZUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-9-3-5-10(6-4-9)18-12(20)8-19-14(21)11-2-1-7-17-13(11)15(19)22/h1-7H,8H2,(H,18,20).
What are the key properties of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide?
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 299.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113201904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).