N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide

C₂₄H₂₀F₂N₄O₃ — CID 53091170

About N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide

N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide (PubChem CID 53091170) has the molecular formula C₂₄H₂₀F₂N₄O₃ and a molecular weight of 450.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
• PubChem CID: 53091170
• Molecular Formula: C₂₄H₂₀F₂N₄O₃
• Molecular Weight: 450.45 g/mol
• Exact Mass: 450.15
• IUPAC Name: N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
• SMILES: Cc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccc(F)c(F)c4)c3=O)n2)cc1
• InChI: InChI=1S/C24H20F2N4O3/c1-13-4-6-16(7-5-13)22-28-23(33-29-22)21-14(2)10-15(3)30(24(21)32)12-20(31)27-17-8-9-18(25)19(26)11-17/h4-11H,12H2,1-3H3,(H,27,31)
• InChIKey: OKTOEDABBRALFB-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 90.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.45
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?

The IUPAC name of N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide (CID 53091170) is N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide.

What is the SMILES notation for N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?

The canonical SMILES for N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide is Cc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccc(F)c(F)c4)c3=O)n2)cc1.

What is the InChIKey of N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?

The InChIKey is OKTOEDABBRALFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c1-13-4-6-16(7-5-13)22-28-23(33-29-22)21-14(2)10-15(3)30(24(21)32)12-20(31)27-17-8-9-18(25)19(26)11-17/h4-11H,12H2,1-3H3,(H,27,31).

What are the key properties of N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?

N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 450.45 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53091170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 53091170 — identifiers, structure, computed properties (public domain)

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