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

C25H23F6N5O2 — CID 118378047

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

N-(2,6-difluorophenyl)-4-[5-[1-fluoro-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide (PubChem CID 118378047) has the molecular formula C25H23F6N5O2 and a molecular weight of 539.48 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-[5-[1-fluoro-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2,6-difluorophenyl)-4-[5-[1-fluoro-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide
• PubChem CID: 118378047
• Molecular Formula: C25H23F6N5O2
• Molecular Weight: 539.48 g/mol
• Exact Mass: 539.18
• IUPAC Name: N-(2,6-difluorophenyl)-4-[5-[1-fluoro-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide
• SMILES: Cc1ncc(C(F)COc2cccc(C(F)(F)F)n2)c(C2CCN(C(=O)Nc3c(F)cccc3F)CC2)n1
• InChI: InChI=1S/C25H23F6N5O2/c1-14-32-12-16(19(28)13-38-21-7-3-6-20(34-21)25(29,30)31)22(33-14)15-8-10-36(11-9-15)24(37)35-23-17(26)4-2-5-18(23)27/h2-7,12,15,19H,8-11,13H2,1H3,(H,35,37)
• InChIKey: RFOPQHRPVQZFPV-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.48
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2,6-difluorophenyl)-4-[5-[1-fluoro-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide (CID 118378047) is N-(2,6-difluorophenyl)-4-[5-[1-fluoro-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide.

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

The canonical SMILES for N-(2,6-difluorophenyl)-4-[5-[1-fluoro-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide is Cc1ncc(C(F)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-fluoro-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide?

The InChIKey is RFOPQHRPVQZFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F6N5O2/c1-14-32-12-16(19(28)13-38-21-7-3-6-20(34-21)25(29,30)31)22(33-14)15-8-10-36(11-9-15)24(37)35-23-17(26)4-2-5-18(23)27/h2-7,12,15,19H,8-11,13H2,1H3,(H,35,37).

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

N-(2,6-difluorophenyl)-4-[5-[1-fluoro-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide has a molecular weight of 539.48 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-difluorophenyl)-4-[5-[1-fluoro-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 118378047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).