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

C25H30N4O3 — CID 144869172

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

ethane;2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[5-methyl-6-(4-methylphenyl)-3-pyridinyl]acetamide (PubChem CID 144869172) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is ethane;2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[5-methyl-6-(4-methylphenyl)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: ethane;2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[5-methyl-6-(4-methylphenyl)-3-pyridinyl]acetamide
• PubChem CID: 144869172
• Molecular Formula: C25H30N4O3
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.23
• IUPAC Name: ethane;2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[5-methyl-6-(4-methylphenyl)-3-pyridinyl]acetamide
• SMILES: CC.Cc1ccc(-c2ncc(NC(=O)CN3CCCC4=C3C(=O)N(C)C4=O)cc2C)cc1
• InChI: InChI=1S/C23H24N4O3.C2H6/c1-14-6-8-16(9-7-14)20-15(2)11-17(12-24-20)25-19(28)13-27-10-4-5-18-21(27)23(30)26(3)22(18)29;1-2/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,25,28);1-2H3
• InChIKey: IDQLQFHXWBGWBC-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of ethane;2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[5-methyl-6-(4-methylphenyl)-3-pyridinyl]acetamide (CID 144869172) is ethane;2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[5-methyl-6-(4-methylphenyl)-3-pyridinyl]acetamide.

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

The canonical SMILES for ethane;2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[5-methyl-6-(4-methylphenyl)-3-pyridinyl]acetamide is CC.Cc1ccc(-c2ncc(NC(=O)CN3CCCC4=C3C(=O)N(C)C4=O)cc2C)cc1.

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

The InChIKey is IDQLQFHXWBGWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3.C2H6/c1-14-6-8-16(9-7-14)20-15(2)11-17(12-24-20)25-19(28)13-27-10-4-5-18-21(27)23(30)26(3)22(18)29;1-2/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,25,28);1-2H3.

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

ethane;2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[5-methyl-6-(4-methylphenyl)-3-pyridinyl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[5-methyl-6-(4-methylphenyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 144869172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).