N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide

C18H16N4O4 — CID 113202622

IUPACN-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN2C(=O)c3cccnc3C2=O)cc1
InChIInChI=1S/C18H16N4O4/c1-11(23)20-12-4-6-13(7-5-12)21-15(24)8-10-22-17(25)14-3-2-9-19-16(14)18(22)26/h2-7,9H,8,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyIZRPXUCTRFRIPV-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.66
Rot. Bonds5

About N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide

N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide (PubChem CID 113202622) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
PubChem CID113202622
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC NameN-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN2C(=O)c3cccnc3C2=O)cc1
InChIInChI=1S/C18H16N4O4/c1-11(23)20-12-4-6-13(7-5-12)21-15(24)8-10-22-17(25)14-3-2-9-19-16(14)18(22)26/h2-7,9H,8,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyIZRPXUCTRFRIPV-UHFFFAOYSA-N
XLogP1.66
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 113202585
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113202630
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 71708206
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(3-methylphenyl)propanamide
CID 113202571
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113202632
N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4604415
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202650
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]acetamide
CID 113082105
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide
CID 71946746
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide
CID 113201904
N-[4-(dimethylamino)phenyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201938
N-(5-bromo-1,3-thiazol-2-yl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 15993223

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide (CID 113202622) is N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide is CC(=O)Nc1ccc(NC(=O)CCN2C(=O)c3cccnc3C2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide?
The InChIKey is IZRPXUCTRFRIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-11(23)20-12-4-6-13(7-5-12)21-15(24)8-10-22-17(25)14-3-2-9-19-16(14)18(22)26/h2-7,9H,8,10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide?
N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide has a molecular weight of 352.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide is sourced from PubChem (CID 113202622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).