2-ethyl-3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[[5-fluoro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(trifluoromethyl)benzamide

C26H31F7N4O2 — CID 123275286

About 2-ethyl-3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[[5-fluoro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(trifluoromethyl)benzamide

2-ethyl-3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[[5-fluoro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(trifluoromethyl)benzamide (PubChem CID 123275286) has the molecular formula C26H31F7N4O2 and a molecular weight of 564.55 g/mol. Its IUPAC name is 2-ethyl-3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[[5-fluoro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 2-ethyl-3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[[5-fluoro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(trifluoromethyl)benzamide
• PubChem CID: 123275286
• Molecular Formula: C26H31F7N4O2
• Molecular Weight: 564.55 g/mol
• Exact Mass: 564.23
• IUPAC Name: 2-ethyl-3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[[5-fluoro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(trifluoromethyl)benzamide
• SMILES: CCc1c(C(=O)NCc2c(C(F)(F)F)c(F)c(C)[nH]c2=O)cc(C(F)(F)F)cc1N(CC)C1CCN(C)CC1
• InChI: InChI=1S/C26H31F7N4O2/c1-5-17-18(23(38)34-13-19-21(26(31,32)33)22(27)14(3)35-24(19)39)11-15(25(28,29)30)12-20(17)37(6-2)16-7-9-36(4)10-8-16/h11-12,16H,5-10,13H2,1-4H3,(H,34,38)(H,35,39)
• InChIKey: QPLALQJFDWGQIB-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 68.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.55
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[[5-fluoro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(trifluoromethyl)benzamide?

The IUPAC name of 2-ethyl-3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[[5-fluoro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(trifluoromethyl)benzamide (CID 123275286) is 2-ethyl-3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[[5-fluoro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(trifluoromethyl)benzamide.

What is the SMILES notation for 2-ethyl-3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[[5-fluoro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(trifluoromethyl)benzamide?

The canonical SMILES for 2-ethyl-3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[[5-fluoro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(trifluoromethyl)benzamide is CCc1c(C(=O)NCc2c(C(F)(F)F)c(F)c(C)[nH]c2=O)cc(C(F)(F)F)cc1N(CC)C1CCN(C)CC1.

What is the InChIKey of 2-ethyl-3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[[5-fluoro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(trifluoromethyl)benzamide?

The InChIKey is QPLALQJFDWGQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F7N4O2/c1-5-17-18(23(38)34-13-19-21(26(31,32)33)22(27)14(3)35-24(19)39)11-15(25(28,29)30)12-20(17)37(6-2)16-7-9-36(4)10-8-16/h11-12,16H,5-10,13H2,1-4H3,(H,34,38)(H,35,39).

What are the key properties of 2-ethyl-3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[[5-fluoro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(trifluoromethyl)benzamide?

2-ethyl-3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[[5-fluoro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 564.55 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[[5-fluoro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 123275286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).