N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide

C₁₃H₁₃F₃N₂O₄ — CID 157042420

About N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide

N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 157042420) has the molecular formula C₁₃H₁₃F₃N₂O₄ and a molecular weight of 318.25 g/mol. Its IUPAC name is N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
• PubChem CID: 157042420
• Molecular Formula: C₁₃H₁₃F₃N₂O₄
• Molecular Weight: 318.25 g/mol
• Exact Mass: 318.08
• IUPAC Name: N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(C(F)(F)F)cn(C2COCCC2=O)c1=O
• InChI: InChI=1S/C13H13F3N2O4/c1-7(19)17-9-4-8(13(14,15)16)5-18(12(9)21)10-6-22-3-2-11(10)20/h4-5,10H,2-3,6H2,1H3,(H,17,19)
• InChIKey: MDRCNNSAOCSXLH-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 77.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.25
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?

The IUPAC name of N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 157042420) is N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide.

What is the SMILES notation for N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?

The canonical SMILES for N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide is CC(=O)Nc1cc(C(F)(F)F)cn(C2COCCC2=O)c1=O.

What is the InChIKey of N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?

The InChIKey is MDRCNNSAOCSXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O4/c1-7(19)17-9-4-8(13(14,15)16)5-18(12(9)21)10-6-22-3-2-11(10)20/h4-5,10H,2-3,6H2,1H3,(H,17,19).

What are the key properties of N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?

N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 318.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 157042420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157042420 — identifiers, structure, computed properties (public domain)

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