2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen

C21H20FN5O3 — CID 144972386

About 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen

2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen (PubChem CID 144972386) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen
• PubChem CID: 144972386
• Molecular Formula: C21H20FN5O3
• Molecular Weight: 409.42 g/mol
• Exact Mass: 409.16
• IUPAC Name: 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen
• SMILES: Cc1cc(CC(=O)NC2=CC=C(c3cncc(F)c3)NN2)c2c(c1)C(=O)N(C)C2=O.[H][H]
• InChI: InChI=1S/C21H18FN5O3.H2/c1-11-5-12(19-15(6-11)20(29)27(2)21(19)30)8-18(28)24-17-4-3-16(25-26-17)13-7-14(22)10-23-9-13;/h3-7,9-10,25-26H,8H2,1-2H3,(H,24,28);1H
• InChIKey: XJCJSMJOQKKOIB-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 103.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.42
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	3
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-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen?

The IUPAC name of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen (CID 144972386) is 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen.

What is the SMILES notation for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen?

The canonical SMILES for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen is Cc1cc(CC(=O)NC2=CC=C(c3cncc(F)c3)NN2)c2c(c1)C(=O)N(C)C2=O.[H][H].

What is the InChIKey of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen?

The InChIKey is XJCJSMJOQKKOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3.H2/c1-11-5-12(19-15(6-11)20(29)27(2)21(19)30)8-18(28)24-17-4-3-16(25-26-17)13-7-14(22)10-23-9-13;/h3-7,9-10,25-26H,8H2,1-2H3,(H,24,28);1H.

What are the key properties of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen?

2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen has a molecular weight of 409.42 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 144972386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).