2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide

C24H24FN7O6 — CID 126073844

About 2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide

2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide (PubChem CID 126073844) has the molecular formula C24H24FN7O6 and a molecular weight of 525.50 g/mol. Its IUPAC name is 2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide
• PubChem CID: 126073844
• Molecular Formula: C24H24FN7O6
• Molecular Weight: 525.50 g/mol
• Exact Mass: 525.18
• IUPAC Name: 2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide
• SMILES: COc1cc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1
• InChI: InChI=1S/C24H24FN7O6/c1-36-21-11-16(13-27-30-24-26-14-19(25)23(29-24)31-7-9-37-10-8-31)5-6-20(21)38-15-22(33)28-17-3-2-4-18(12-17)32(34)35/h2-6,11-14H,7-10,15H2,1H3,(H,28,33)(H,26,29,30)/b27-13-
• InChIKey: YFRAHSQWOKMSLK-WKIKZPBSSA-N
• XLogP: 2.83
• TPSA: 153.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.50
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide?

The IUPAC name of 2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide (CID 126073844) is 2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide.

What is the SMILES notation for 2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide?

The canonical SMILES for 2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide is COc1cc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1.

What is the InChIKey of 2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide?

The InChIKey is YFRAHSQWOKMSLK-WKIKZPBSSA-N. The full InChI is InChI=1S/C24H24FN7O6/c1-36-21-11-16(13-27-30-24-26-14-19(25)23(29-24)31-7-9-37-10-8-31)5-6-20(21)38-15-22(33)28-17-3-2-4-18(12-17)32(34)35/h2-6,11-14H,7-10,15H2,1H3,(H,28,33)(H,26,29,30)/b27-13-.

What are the key properties of 2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide?

2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide has a molecular weight of 525.50 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 126073844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).