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

C38H36F3N5O3 — CID 59268297

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

3-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[4-methyl-3-(7-methyl-2-oxo-1-phenyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide (PubChem CID 59268297) has the molecular formula C38H36F3N5O3 and a molecular weight of 667.73 g/mol. Its IUPAC name is 3-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[4-methyl-3-(7-methyl-2-oxo-1-phenyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 3-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[4-methyl-3-(7-methyl-2-oxo-1-phenyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide
• PubChem CID: 59268297
• Molecular Formula: C38H36F3N5O3
• Molecular Weight: 667.73 g/mol
• Exact Mass: 667.28
• IUPAC Name: 3-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[4-methyl-3-(7-methyl-2-oxo-1-phenyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide
• SMILES: CC(=O)N(C)C1CCN(c2cc(C(=O)Nc3ccc(C)c(-c4cc5cnc(C)cc5n(-c5ccccc5)c4=O)c3)cc(C(F)(F)F)c2)CC1
• InChI: InChI=1S/C38H36F3N5O3/c1-23-10-11-29(21-33(23)34-19-27-22-42-24(2)16-35(27)46(37(34)49)31-8-6-5-7-9-31)43-36(48)26-17-28(38(39,40)41)20-32(18-26)45-14-12-30(13-15-45)44(4)25(3)47/h5-11,16-22,30H,12-15H2,1-4H3,(H,43,48)
• InChIKey: WABGKKJPDAFWDF-UHFFFAOYSA-N
• XLogP: 7.39
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.73
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[4-methyl-3-(7-methyl-2-oxo-1-phenyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide (CID 59268297) is 3-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[4-methyl-3-(7-methyl-2-oxo-1-phenyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide.

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

The canonical SMILES for 3-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[4-methyl-3-(7-methyl-2-oxo-1-phenyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide is CC(=O)N(C)C1CCN(c2cc(C(=O)Nc3ccc(C)c(-c4cc5cnc(C)cc5n(-c5ccccc5)c4=O)c3)cc(C(F)(F)F)c2)CC1.

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

The InChIKey is WABGKKJPDAFWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36F3N5O3/c1-23-10-11-29(21-33(23)34-19-27-22-42-24(2)16-35(27)46(37(34)49)31-8-6-5-7-9-31)43-36(48)26-17-28(38(39,40)41)20-32(18-26)45-14-12-30(13-15-45)44(4)25(3)47/h5-11,16-22,30H,12-15H2,1-4H3,(H,43,48).

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

3-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[4-methyl-3-(7-methyl-2-oxo-1-phenyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide has a molecular weight of 667.73 g/mol, XLogP of 7.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[4-methyl-3-(7-methyl-2-oxo-1-phenyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 59268297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).