3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide

C34H36F3N5O3 — CID 24955624

About 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide

3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide (PubChem CID 24955624) has the molecular formula C34H36F3N5O3 and a molecular weight of 619.69 g/mol. Its IUPAC name is 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide
• PubChem CID: 24955624
• Molecular Formula: C34H36F3N5O3
• Molecular Weight: 619.69 g/mol
• Exact Mass: 619.28
• IUPAC Name: 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide
• SMILES: CCCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(N4CCC(NC(C)=O)CC4)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C
• InChI: InChI=1S/C34H36F3N5O3/c1-5-6-26-18-31-23(19-38-26)15-30(33(45)41(31)4)29-17-27(8-7-20(29)2)40-32(44)22-13-24(34(35,36)37)16-28(14-22)42-11-9-25(10-12-42)39-21(3)43/h7-8,13-19,25H,5-6,9-12H2,1-4H3,(H,39,43)(H,40,44)
• InChIKey: CIZPMAFNSQFZFL-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.69
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide?

The IUPAC name of 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide (CID 24955624) is 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide.

What is the SMILES notation for 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide?

The canonical SMILES for 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide is CCCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(N4CCC(NC(C)=O)CC4)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.

What is the InChIKey of 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide?

The InChIKey is CIZPMAFNSQFZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F3N5O3/c1-5-6-26-18-31-23(19-38-26)15-30(33(45)41(31)4)29-17-27(8-7-20(29)2)40-32(44)22-13-24(34(35,36)37)16-28(14-22)42-11-9-25(10-12-42)39-21(3)43/h7-8,13-19,25H,5-6,9-12H2,1-4H3,(H,39,43)(H,40,44).

What are the key properties of 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide?

3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide has a molecular weight of 619.69 g/mol, XLogP of 6.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 24955624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).