N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide

C25H22F3N5O4 — CID 66915793

About N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide (PubChem CID 66915793) has the molecular formula C25H22F3N5O4 and a molecular weight of 513.48 g/mol. Its IUPAC name is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide
• PubChem CID: 66915793
• Molecular Formula: C25H22F3N5O4
• Molecular Weight: 513.48 g/mol
• Exact Mass: 513.16
• IUPAC Name: N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide
• SMILES: CC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)Cc3cccnc3)c2)C(=O)N1Cc1ccncc1
• InChI: InChI=1S/C25H22F3N5O4/c1-24(2)22(35)33(23(36)32(24)15-16-7-10-29-11-8-16)18-5-6-20(37-25(26,27)28)19(13-18)31-21(34)12-17-4-3-9-30-14-17/h3-11,13-14H,12,15H2,1-2H3,(H,31,34)
• InChIKey: OYCVVYQTZLMXRE-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 104.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.48
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide?

The IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide (CID 66915793) is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide.

What is the SMILES notation for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide?

The canonical SMILES for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide is CC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)Cc3cccnc3)c2)C(=O)N1Cc1ccncc1.

What is the InChIKey of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide?

The InChIKey is OYCVVYQTZLMXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O4/c1-24(2)22(35)33(23(36)32(24)15-16-7-10-29-11-8-16)18-5-6-20(37-25(26,27)28)19(13-18)31-21(34)12-17-4-3-9-30-14-17/h3-11,13-14H,12,15H2,1-2H3,(H,31,34).

What are the key properties of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide?

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide has a molecular weight of 513.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 66915793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).