4-[2-amino-6-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]pyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide

C25H23F5N6O3 — CID 118378373

About 4-[2-amino-6-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]pyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide

4-[2-amino-6-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]pyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide (PubChem CID 118378373) has the molecular formula C25H23F5N6O3 and a molecular weight of 550.49 g/mol. Its IUPAC name is 4-[2-amino-6-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]pyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[2-amino-6-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]pyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide
• PubChem CID: 118378373
• Molecular Formula: C25H23F5N6O3
• Molecular Weight: 550.49 g/mol
• Exact Mass: 550.18
• IUPAC Name: 4-[2-amino-6-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]pyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide
• SMILES: Cc1nc(N)nc(C2CCN(C(=O)Nc3c(F)cccc3F)CC2)c1C(=O)COc1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C25H23F5N6O3/c1-13-20(17(37)12-39-19-7-3-6-18(33-19)25(28,29)30)21(34-23(31)32-13)14-8-10-36(11-9-14)24(38)35-22-15(26)4-2-5-16(22)27/h2-7,14H,8-12H2,1H3,(H,35,38)(H2,31,32,34)
• InChIKey: HHGQYRPHFHLDPG-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 123.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.49
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]pyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide?

The IUPAC name of 4-[2-amino-6-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]pyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide (CID 118378373) is 4-[2-amino-6-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]pyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide.

What is the SMILES notation for 4-[2-amino-6-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]pyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide?

The canonical SMILES for 4-[2-amino-6-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]pyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide is Cc1nc(N)nc(C2CCN(C(=O)Nc3c(F)cccc3F)CC2)c1C(=O)COc1cccc(C(F)(F)F)n1.

What is the InChIKey of 4-[2-amino-6-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]pyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide?

The InChIKey is HHGQYRPHFHLDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F5N6O3/c1-13-20(17(37)12-39-19-7-3-6-18(33-19)25(28,29)30)21(34-23(31)32-13)14-8-10-36(11-9-14)24(38)35-22-15(26)4-2-5-16(22)27/h2-7,14H,8-12H2,1H3,(H,35,38)(H2,31,32,34).

What are the key properties of 4-[2-amino-6-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]pyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide?

4-[2-amino-6-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]pyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide has a molecular weight of 550.49 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-amino-6-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]pyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 118378373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).