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

C19H17N3O4 — CID 4604415

IUPACN-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide
SMILESCC(=O)c1cccc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C19H17N3O4/c1-12(23)13-5-2-6-14(11-13)21-16(24)8-4-10-22-18(25)15-7-3-9-20-17(15)19(22)26/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,21,24)
InChIKeyPAAQEUSKMRMGRO-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.30
Rot. Bonds6

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

N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide (PubChem CID 4604415) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide
PubChem CID4604415
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide
SMILESCC(=O)c1cccc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C19H17N3O4/c1-12(23)13-5-2-6-14(11-13)21-16(24)8-4-10-22-18(25)15-7-3-9-20-17(15)19(22)26/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,21,24)
InChIKeyPAAQEUSKMRMGRO-UHFFFAOYSA-N
XLogP2.30
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide 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

3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(3-methylphenyl)propanamide
CID 113202571
N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202622
3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoic acid
CID 1238428
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 71708206
N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2303121
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methoxy-5-methylphenyl)butanamide
CID 4604522
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 113202585
N-(3-acetylphenyl)-4-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)butanamide
CID 22553540
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202650
N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110604119
6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 61206961
dimethyl 5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzene-1,3-dicarboxylate
CID 2682990

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide?
The IUPAC name of N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide (CID 4604415) is N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide is CC(=O)c1cccc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide?
The InChIKey is PAAQEUSKMRMGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12(23)13-5-2-6-14(11-13)21-16(24)8-4-10-22-18(25)15-7-3-9-20-17(15)19(22)26/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide?
N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide has a molecular weight of 351.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide is sourced from PubChem (CID 4604415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).