3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide

C₁₅H₁₇N₃O₄ — CID 146081078

About 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide

3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide (PubChem CID 146081078) has the molecular formula C₁₅H₁₇N₃O₄ and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide.

Molecular Properties

• Compound Name: 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide
• PubChem CID: 146081078
• Molecular Formula: C₁₅H₁₇N₃O₄
• Molecular Weight: 303.32 g/mol
• Exact Mass: 303.12
• IUPAC Name: 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide
• SMILES: CC1=C(C)C(=O)N(CCC(=O)NOCc2cccnc2)C1=O
• InChI: InChI=1S/C15H17N3O4/c1-10-11(2)15(21)18(14(10)20)7-5-13(19)17-22-9-12-4-3-6-16-8-12/h3-4,6,8H,5,7,9H2,1-2H3,(H,17,19)
• InChIKey: AYBNRQKHEWWKKW-UHFFFAOYSA-N
• XLogP: 0.72
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.32
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide?

The IUPAC name of 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide (CID 146081078) is 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide.

What is the SMILES notation for 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide?

The canonical SMILES for 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide is CC1=C(C)C(=O)N(CCC(=O)NOCc2cccnc2)C1=O.

What is the InChIKey of 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide?

The InChIKey is AYBNRQKHEWWKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10-11(2)15(21)18(14(10)20)7-5-13(19)17-22-9-12-4-3-6-16-8-12/h3-4,6,8H,5,7,9H2,1-2H3,(H,17,19).

What are the key properties of 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide?

3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide has a molecular weight of 303.32 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide is sourced from PubChem (CID 146081078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146081078 — identifiers, structure, computed properties (public domain)

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