N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide

C22H20F2N6O4 — CID 163283155

About N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide

N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide (PubChem CID 163283155) has the molecular formula C22H20F2N6O4 and a molecular weight of 470.44 g/mol. Its IUPAC name is N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide
• PubChem CID: 163283155
• Molecular Formula: C22H20F2N6O4
• Molecular Weight: 470.44 g/mol
• Exact Mass: 470.15
• IUPAC Name: N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(N2C(=O)N(Cc3ccc(-c4nnc(C(F)F)o4)cn3)C(=O)C2(C)C)c1
• InChI: InChI=1S/C22H20F2N6O4/c1-12(31)26-14-5-4-6-16(9-14)30-21(33)29(20(32)22(30,2)3)11-15-8-7-13(10-25-15)18-27-28-19(34-18)17(23)24/h4-10,17H,11H2,1-3H3,(H,26,31)
• InChIKey: NLXNADSDVLHUAE-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 121.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.44
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide?

The IUPAC name of N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide (CID 163283155) is N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2C(=O)N(Cc3ccc(-c4nnc(C(F)F)o4)cn3)C(=O)C2(C)C)c1.

What is the InChIKey of N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide?

The InChIKey is NLXNADSDVLHUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O4/c1-12(31)26-14-5-4-6-16(9-14)30-21(33)29(20(32)22(30,2)3)11-15-8-7-13(10-25-15)18-27-28-19(34-18)17(23)24/h4-10,17H,11H2,1-3H3,(H,26,31).

What are the key properties of N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide?

N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide has a molecular weight of 470.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 163283155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).