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

C27H37F3N4O2 — CID 70874777

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

3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-5-(trifluoromethyl)benzamide (PubChem CID 70874777) has the molecular formula C27H37F3N4O2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-5-(trifluoromethyl)benzamide
• PubChem CID: 70874777
• Molecular Formula: C27H37F3N4O2
• Molecular Weight: 506.61 g/mol
• Exact Mass: 506.29
• IUPAC Name: 3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-5-(trifluoromethyl)benzamide
• SMILES: CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(C(F)(F)F)cc(N(CC)C2CCN(C)CC2)c1C
• InChI: InChI=1S/C27H37F3N4O2/c1-6-8-19-13-17(3)32-26(36)23(19)16-31-25(35)22-14-20(27(28,29)30)15-24(18(22)4)34(7-2)21-9-11-33(5)12-10-21/h13-15,21H,6-12,16H2,1-5H3,(H,31,35)(H,32,36)
• InChIKey: CEUMVHKTHKAMNX-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 68.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.61
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-5-(trifluoromethyl)benzamide (CID 70874777) is 3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-5-(trifluoromethyl)benzamide.

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

The canonical SMILES for 3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-5-(trifluoromethyl)benzamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(C(F)(F)F)cc(N(CC)C2CCN(C)CC2)c1C.

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

The InChIKey is CEUMVHKTHKAMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37F3N4O2/c1-6-8-19-13-17(3)32-26(36)23(19)16-31-25(35)22-14-20(27(28,29)30)15-24(18(22)4)34(7-2)21-9-11-33(5)12-10-21/h13-15,21H,6-12,16H2,1-5H3,(H,31,35)(H,32,36).

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

3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 506.61 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70874777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).