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

C21H21N5O3 — CID 118174207

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

2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(2-methylphenyl)pyridazin-3-yl]acetamide (PubChem CID 118174207) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 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-(2-methylphenyl)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-(2-methylphenyl)pyridazin-3-yl]acetamide
• PubChem CID: 118174207
• Molecular Formula: C21H21N5O3
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.16
• IUPAC Name: 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(2-methylphenyl)pyridazin-3-yl]acetamide
• SMILES: Cc1ccccc1-c1ccc(NC(=O)CN2CCCC3=C2C(=O)N(C)C3=O)nn1
• InChI: InChI=1S/C21H21N5O3/c1-13-6-3-4-7-14(13)16-9-10-17(24-23-16)22-18(27)12-26-11-5-8-15-19(26)21(29)25(2)20(15)28/h3-4,6-7,9-10H,5,8,11-12H2,1-2H3,(H,22,24,27)
• InChIKey: NPTIXAZOPVOHJG-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-(2-methylphenyl)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-(2-methylphenyl)pyridazin-3-yl]acetamide (CID 118174207) is 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(2-methylphenyl)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-(2-methylphenyl)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-(2-methylphenyl)pyridazin-3-yl]acetamide is Cc1ccccc1-c1ccc(NC(=O)CN2CCCC3=C2C(=O)N(C)C3=O)nn1.

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

The InChIKey is NPTIXAZOPVOHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-13-6-3-4-7-14(13)16-9-10-17(24-23-16)22-18(27)12-26-11-5-8-15-19(26)21(29)25(2)20(15)28/h3-4,6-7,9-10H,5,8,11-12H2,1-2H3,(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-(2-methylphenyl)pyridazin-3-yl]acetamide?

2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(2-methylphenyl)pyridazin-3-yl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-(2-methylphenyl)pyridazin-3-yl]acetamide is sourced from PubChem (CID 118174207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).