4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide

C₂₄H₂₁N₃O₃ — CID 155520061

About 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide

4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide (PubChem CID 155520061) has the molecular formula C₂₄H₂₁N₃O₃ and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide.

Molecular Properties

• Compound Name: 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide
• PubChem CID: 155520061
• Molecular Formula: C₂₄H₂₁N₃O₃
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.16
• IUPAC Name: 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide
• SMILES: Cc1cccc2c1C(=O)N(CCCC(=O)Nc1ccc(-c3ccccc3)cn1)C2=O
• InChI: InChI=1S/C24H21N3O3/c1-16-7-5-10-19-22(16)24(30)27(23(19)29)14-6-11-21(28)26-20-13-12-18(15-25-20)17-8-3-2-4-9-17/h2-5,7-10,12-13,15H,6,11,14H2,1H3,(H,25,26,28)
• InChIKey: ASANKRKOQNEUCT-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?

The IUPAC name of 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide (CID 155520061) is 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide.

What is the SMILES notation for 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?

The canonical SMILES for 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide is Cc1cccc2c1C(=O)N(CCCC(=O)Nc1ccc(-c3ccccc3)cn1)C2=O.

What is the InChIKey of 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?

The InChIKey is ASANKRKOQNEUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-7-5-10-19-22(16)24(30)27(23(19)29)14-6-11-21(28)26-20-13-12-18(15-25-20)17-8-3-2-4-9-17/h2-5,7-10,12-13,15H,6,11,14H2,1H3,(H,25,26,28).

What are the key properties of 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?

4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide has a molecular weight of 399.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide is sourced from PubChem (CID 155520061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155520061 — identifiers, structure, computed properties (public domain)

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