N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline

C97H94F12N8O8 — CID 167658746

About N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 167658746) has the molecular formula C97H94F12N8O8 and a molecular weight of 1727.84 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

• Compound Name: N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline
• PubChem CID: 167658746
• Molecular Formula: C97H94F12N8O8
• Molecular Weight: 1727.84 g/mol
• Exact Mass: 1726.70
• IUPAC Name: N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline
• SMILES: Cc1ccc(C(=O)N(Cc2ccccc2C)CC(O)COc2ccc(C(F)(F)F)cc2)cn1.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1.Cc1ccccc1CN(Cc1cccnc1)C(=O)CCOc1ccc(C(F)(F)F)cc1.FC(F)(F)c1ccc(OCCCN2Cc3ccccc3CC2c2cccnc2)cc1
• InChI: InChI=1S/C25H25F3N2O3.2C24H23F3N2O2.C24H23F3N2O/c1-17-5-3-4-6-20(17)14-30(24(32)19-8-7-18(2)29-13-19)15-22(31)16-33-23-11-9-21(10-12-23)25(26,27)28;1-18-6-2-3-7-20(18)17-29(23(30)19-8-4-13-28-16-19)14-5-15-31-22-11-9-21(10-12-22)24(25,26)27;1-18-5-2-3-7-20(18)17-29(16-19-6-4-13-28-15-19)23(30)12-14-31-22-10-8-21(9-11-22)24(25,26)27;25-24(26,27)21-8-10-22(11-9-21)30-14-4-13-29-17-20-6-2-1-5-18(20)15-23(29)19-7-3-12-28-16-19/h3-13,22,31H,14-16H2,1-2H3;2-4,6-13,16H,5,14-15,17H2,1H3;2-11,13,15H,12,14,16-17H2,1H3;1-3,5-12,16,23H,4,13-15,17H2
• InChIKey: RQLVPEBAUVRGDB-UHFFFAOYSA-N
• XLogP: 21.40
• TPSA: 172.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 30
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1727.84
LogP ≤ 5	21.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline?

The IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline (CID 167658746) is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline.

What is the SMILES notation for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline?

The canonical SMILES for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline is Cc1ccc(C(=O)N(Cc2ccccc2C)CC(O)COc2ccc(C(F)(F)F)cc2)cn1.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1.Cc1ccccc1CN(Cc1cccnc1)C(=O)CCOc1ccc(C(F)(F)F)cc1.FC(F)(F)c1ccc(OCCCN2Cc3ccccc3CC2c2cccnc2)cc1.

What is the InChIKey of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline?

The InChIKey is RQLVPEBAUVRGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O3.2C24H23F3N2O2.C24H23F3N2O/c1-17-5-3-4-6-20(17)14-30(24(32)19-8-7-18(2)29-13-19)15-22(31)16-33-23-11-9-21(10-12-23)25(26,27)28;1-18-6-2-3-7-20(18)17-29(23(30)19-8-4-13-28-16-19)14-5-15-31-22-11-9-21(10-12-22)24(25,26)27;1-18-5-2-3-7-20(18)17-29(16-19-6-4-13-28-15-19)23(30)12-14-31-22-10-8-21(9-11-22)24(25,26)27;25-24(26,27)21-8-10-22(11-9-21)30-14-4-13-29-17-20-6-2-1-5-18(20)15-23(29)19-7-3-12-28-16-19/h3-13,22,31H,14-16H2,1-2H3;2-4,6-13,16H,5,14-15,17H2,1H3;2-11,13,15H,12,14,16-17H2,1H3;1-3,5-12,16,23H,4,13-15,17H2.

What are the key properties of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline?

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 1727.84 g/mol, XLogP of 21.40, 30 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 167658746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).