4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide

C149H138F18N16O17 — CID 159007169

About 4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide

4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 159007169) has the molecular formula C149H138F18N16O17 and a molecular weight of 2766.80 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 159007169
• Molecular Formula: C149H138F18N16O17
• Molecular Weight: 2766.80 g/mol
• Exact Mass: 2765.01
• IUPAC Name: 4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
• SMILES: Cc1ccc(NC(=O)c2ccc(CN)c(C(F)(F)F)c2)cc1-c1cccc(C2COC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc(C2COC2)c1.Cc1ncc(NC(=O)c2ccc(CN)c(C(F)(F)F)c2)cc1-c1cccc(C2(C)COC2)c1.Cc1ncc(NC(=O)c2ccc(CO)c(C(F)(F)F)c2)cc1-c1cccc(C2COC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(OC2CCOCC2)nn1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(OCCO)nn1
• InChI: InChI=1S/C27H27F3N4O4.C25H24F3N3O2.C25H23F3N2O2.C24H23F3N4O4.C24H21F3N2O3.C24H20F3NO2/c1-16-21(11-19(13-31-16)32-24(35)17-4-3-5-18(10-17)27(28,29)30)23-12-22(26(2)14-37-15-26)25(34-33-23)38-20-6-8-36-9-7-20;1-15-21(16-4-3-5-19(8-16)24(2)13-33-14-24)10-20(12-30-15)31-23(32)17-6-7-18(11-29)22(9-17)25(26,27)28;1-15-5-8-21(11-22(15)17-4-2-3-16(9-17)20-13-32-14-20)30-24(31)18-6-7-19(12-29)23(10-18)25(26,27)28;1-14-18(20-10-19(23(2)12-34-13-23)22(31-30-20)35-7-6-32)9-17(11-28-14)29-21(33)15-4-3-5-16(8-15)24(25,26)27;1-14-21(16-4-2-3-15(7-16)19-12-32-13-19)9-20(10-28-14)29-23(31)17-5-6-18(11-30)22(8-17)24(25,26)27;1-15-8-9-21(28-23(29)18-6-3-7-20(11-18)24(25,26)27)12-22(15)17-5-2-4-16(10-17)19-13-30-14-19/h3-5,10-13,20H,6-9,14-15H2,1-2H3,(H,32,35);3-10,12H,11,13-14,29H2,1-2H3,(H,31,32);2-11,20H,12-14,29H2,1H3,(H,30,31);3-5,8-11,32H,6-7,12-13H2,1-2H3,(H,29,33);2-10,19,30H,11-13H2,1H3,(H,29,31);2-12,19H,13-14H2,1H3,(H,28,29)
• InChIKey: JSBKASQVGIGWNW-UHFFFAOYSA-N
• XLogP: 30.30
• TPSA: 453.29 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 32
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2766.80
LogP ≤ 5	30.30
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of 4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide (CID 159007169) is 4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for 4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for 4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2ccc(CN)c(C(F)(F)F)c2)cc1-c1cccc(C2COC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc(C2COC2)c1.Cc1ncc(NC(=O)c2ccc(CN)c(C(F)(F)F)c2)cc1-c1cccc(C2(C)COC2)c1.Cc1ncc(NC(=O)c2ccc(CO)c(C(F)(F)F)c2)cc1-c1cccc(C2COC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(OC2CCOCC2)nn1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(OCCO)nn1.

What is the InChIKey of 4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?

The InChIKey is JSBKASQVGIGWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O4.C25H24F3N3O2.C25H23F3N2O2.C24H23F3N4O4.C24H21F3N2O3.C24H20F3NO2/c1-16-21(11-19(13-31-16)32-24(35)17-4-3-5-18(10-17)27(28,29)30)23-12-22(26(2)14-37-15-26)25(34-33-23)38-20-6-8-36-9-7-20;1-15-21(16-4-3-5-19(8-16)24(2)13-33-14-24)10-20(12-30-15)31-23(32)17-6-7-18(11-29)22(9-17)25(26,27)28;1-15-5-8-21(11-22(15)17-4-2-3-16(9-17)20-13-32-14-20)30-24(31)18-6-7-19(12-29)23(10-18)25(26,27)28;1-14-18(20-10-19(23(2)12-34-13-23)22(31-30-20)35-7-6-32)9-17(11-28-14)29-21(33)15-4-3-5-16(8-15)24(25,26)27;1-14-21(16-4-2-3-15(7-16)19-12-32-13-19)9-20(10-28-14)29-23(31)17-5-6-18(11-30)22(8-17)24(25,26)27;1-15-8-9-21(28-23(29)18-6-3-7-20(11-18)24(25,26)27)12-22(15)17-5-2-4-16(10-17)19-13-30-14-19/h3-5,10-13,20H,6-9,14-15H2,1-2H3,(H,32,35);3-10,12H,11,13-14,29H2,1-2H3,(H,31,32);2-11,20H,12-14,29H2,1H3,(H,30,31);3-5,8-11,32H,6-7,12-13H2,1-2H3,(H,29,33);2-10,19,30H,11-13H2,1H3,(H,29,31);2-12,19H,13-14H2,1H3,(H,28,29).

What are the key properties of 4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?

4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2766.80 g/mol, XLogP of 30.30, 32 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159007169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).