N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide

C26H28F2N2O4 — CID 90019267

About N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide (PubChem CID 90019267) has the molecular formula C26H28F2N2O4 and a molecular weight of 470.52 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide
• PubChem CID: 90019267
• Molecular Formula: C26H28F2N2O4
• Molecular Weight: 470.52 g/mol
• Exact Mass: 470.20
• IUPAC Name: N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide
• SMILES: CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CC(C)(C)C)ccc1Oc1ccc(F)cc1F
• InChI: InChI=1S/C26H28F2N2O4/c1-6-33-23-13-25(32)30(5)15-19(23)18-12-17(29-24(31)14-26(2,3)4)8-10-21(18)34-22-9-7-16(27)11-20(22)28/h7-13,15H,6,14H2,1-5H3,(H,29,31)
• InChIKey: HQHISCFZTYGLSD-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 69.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.52
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide?

The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide (CID 90019267) is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide?

The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide is CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CC(C)(C)C)ccc1Oc1ccc(F)cc1F.

What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide?

The InChIKey is HQHISCFZTYGLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O4/c1-6-33-23-13-25(32)30(5)15-19(23)18-12-17(29-24(31)14-26(2,3)4)8-10-21(18)34-22-9-7-16(27)11-20(22)28/h7-13,15H,6,14H2,1-5H3,(H,29,31).

What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide?

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 470.52 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 90019267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).