N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide

C25H24F5N5O4 — CID 118378395

About N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide

N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide (PubChem CID 118378395) has the molecular formula C25H24F5N5O4 and a molecular weight of 553.49 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide
• PubChem CID: 118378395
• Molecular Formula: C25H24F5N5O4
• Molecular Weight: 553.49 g/mol
• Exact Mass: 553.17
• IUPAC Name: N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide
• SMILES: COc1ncc(C(O)COc2cccc(C(F)(F)F)n2)c(C2CCN(C(=O)Nc3c(F)cccc3F)CC2)n1
• InChI: InChI=1S/C25H24F5N5O4/c1-38-23-31-12-15(18(36)13-39-20-7-3-6-19(32-20)25(28,29)30)21(33-23)14-8-10-35(11-9-14)24(37)34-22-16(26)4-2-5-17(22)27/h2-7,12,14,18,36H,8-11,13H2,1H3,(H,34,37)
• InChIKey: SAQBVZFXDUZAMK-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 109.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.49
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide?

The IUPAC name of N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide (CID 118378395) is N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide?

The canonical SMILES for N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide is COc1ncc(C(O)COc2cccc(C(F)(F)F)n2)c(C2CCN(C(=O)Nc3c(F)cccc3F)CC2)n1.

What is the InChIKey of N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide?

The InChIKey is SAQBVZFXDUZAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F5N5O4/c1-38-23-31-12-15(18(36)13-39-20-7-3-6-19(32-20)25(28,29)30)21(33-23)14-8-10-35(11-9-14)24(37)34-22-16(26)4-2-5-17(22)27/h2-7,12,14,18,36H,8-11,13H2,1H3,(H,34,37).

What are the key properties of N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide?

N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide has a molecular weight of 553.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methoxypyrimidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 118378395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).