3-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-6-methoxy-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-1,5-naphthyridine-4-carboxamide

C33H33F6N5O3 — CID 123144403

About 3-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-6-methoxy-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-1,5-naphthyridine-4-carboxamide

3-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-6-methoxy-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-1,5-naphthyridine-4-carboxamide (PubChem CID 123144403) has the molecular formula C33H33F6N5O3 and a molecular weight of 661.65 g/mol. Its IUPAC name is 3-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-6-methoxy-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-1,5-naphthyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-6-methoxy-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-1,5-naphthyridine-4-carboxamide
• PubChem CID: 123144403
• Molecular Formula: C33H33F6N5O3
• Molecular Weight: 661.65 g/mol
• Exact Mass: 661.25
• IUPAC Name: 3-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-6-methoxy-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-1,5-naphthyridine-4-carboxamide
• SMILES: COc1ccc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(NCCO)CC3)c(C(=O)NC(c3ccccc3)C(F)(F)F)c2n1
• InChI: InChI=1S/C33H33F6N5O3/c1-47-26-11-10-25-29(42-26)27(31(46)43-30(33(37,38)39)20-6-3-2-4-7-20)24(19-44-15-12-23(13-16-44)40-14-17-45)28(41-25)21-8-5-9-22(18-21)32(34,35)36/h2-11,18,23,30,40,45H,12-17,19H2,1H3,(H,43,46)
• InChIKey: SFUZSNYNDXFIMN-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 99.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.65
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-6-methoxy-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-1,5-naphthyridine-4-carboxamide?

The IUPAC name of 3-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-6-methoxy-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-1,5-naphthyridine-4-carboxamide (CID 123144403) is 3-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-6-methoxy-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-1,5-naphthyridine-4-carboxamide.

What is the SMILES notation for 3-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-6-methoxy-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-1,5-naphthyridine-4-carboxamide?

The canonical SMILES for 3-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-6-methoxy-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-1,5-naphthyridine-4-carboxamide is COc1ccc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(NCCO)CC3)c(C(=O)NC(c3ccccc3)C(F)(F)F)c2n1.

What is the InChIKey of 3-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-6-methoxy-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-1,5-naphthyridine-4-carboxamide?

The InChIKey is SFUZSNYNDXFIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33F6N5O3/c1-47-26-11-10-25-29(42-26)27(31(46)43-30(33(37,38)39)20-6-3-2-4-7-20)24(19-44-15-12-23(13-16-44)40-14-17-45)28(41-25)21-8-5-9-22(18-21)32(34,35)36/h2-11,18,23,30,40,45H,12-17,19H2,1H3,(H,43,46).

What are the key properties of 3-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-6-methoxy-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-1,5-naphthyridine-4-carboxamide?

3-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-6-methoxy-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-1,5-naphthyridine-4-carboxamide has a molecular weight of 661.65 g/mol, XLogP of 5.90, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]-6-methoxy-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 123144403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).