2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide

C20H20N6O3 — CID 118174075

About 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide

2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide (PubChem CID 118174075) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide
• PubChem CID: 118174075
• Molecular Formula: C20H20N6O3
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.16
• IUPAC Name: 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide
• SMILES: Cc1ccc(-c2ccc(NC(=O)CN3CCCC4=C3C(=O)N(C)C4=O)nn2)cn1
• InChI: InChI=1S/C20H20N6O3/c1-12-5-6-13(10-21-12)15-7-8-16(24-23-15)22-17(27)11-26-9-3-4-14-18(26)20(29)25(2)19(14)28/h5-8,10H,3-4,9,11H2,1-2H3,(H,22,24,27)
• InChIKey: XKHNSDTXIUZEFW-UHFFFAOYSA-N
• XLogP: 1.13
• TPSA: 108.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide?

The IUPAC name of 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide (CID 118174075) is 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide.

What is the SMILES notation for 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide?

The canonical SMILES for 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide is Cc1ccc(-c2ccc(NC(=O)CN3CCCC4=C3C(=O)N(C)C4=O)nn2)cn1.

What is the InChIKey of 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide?

The InChIKey is XKHNSDTXIUZEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-12-5-6-13(10-21-12)15-7-8-16(24-23-15)22-17(27)11-26-9-3-4-14-18(26)20(29)25(2)19(14)28/h5-8,10H,3-4,9,11H2,1-2H3,(H,22,24,27).

What are the key properties of 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide?

2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide has a molecular weight of 392.42 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide is sourced from PubChem (CID 118174075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).