2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide

C25H25F3N4O6 — CID 10414749

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide (PubChem CID 10414749) has the molecular formula C25H25F3N4O6 and a molecular weight of 534.49 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide
• PubChem CID: 10414749
• Molecular Formula: C25H25F3N4O6
• Molecular Weight: 534.49 g/mol
• Exact Mass: 534.17
• IUPAC Name: 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide
• SMILES: CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)CN2C(=O)CCC2=O)c1=O)C(=O)C(F)(F)F
• InChI: InChI=1S/C25H25F3N4O6/c1-14(2)22(23(37)25(26,27)28)30-19(34)12-31-17(15-6-4-3-5-7-15)9-8-16(24(31)38)29-18(33)13-32-20(35)10-11-21(32)36/h3-9,14,22H,10-13H2,1-2H3,(H,29,33)(H,30,34)
• InChIKey: JSNNLFMBSOKONN-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 134.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.49
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	2
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-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide?

The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide (CID 10414749) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide.

What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide?

The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)CN2C(=O)CCC2=O)c1=O)C(=O)C(F)(F)F.

What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide?

The InChIKey is JSNNLFMBSOKONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O6/c1-14(2)22(23(37)25(26,27)28)30-19(34)12-31-17(15-6-4-3-5-7-15)9-8-16(24(31)38)29-18(33)13-32-20(35)10-11-21(32)36/h3-9,14,22H,10-13H2,1-2H3,(H,29,33)(H,30,34).

What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide?

2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide has a molecular weight of 534.49 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide is sourced from PubChem (CID 10414749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).