N,N-diethyl-3-(2-methoxyethoxy)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propan-2-yloxybenzamide;3-ethoxy-N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(2-hydroxy-2-methylpropyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide

C99H114F9N25O14S — CID 158918672

About N,N-diethyl-3-(2-methoxyethoxy)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propan-2-yloxybenzamide;3-ethoxy-N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(2-hydroxy-2-methylpropyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide

N,N-diethyl-3-(2-methoxyethoxy)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propan-2-yloxybenzamide;3-ethoxy-N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(2-hydroxy-2-methylpropyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 158918672) has the molecular formula C99H114F9N25O14S and a molecular weight of 2081.21 g/mol. Its IUPAC name is N,N-diethyl-3-(2-methoxyethoxy)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propan-2-yloxybenzamide;3-ethoxy-N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(2-hydroxy-2-methylpropyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

• Compound Name: N,N-diethyl-3-(2-methoxyethoxy)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propan-2-yloxybenzamide;3-ethoxy-N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(2-hydroxy-2-methylpropyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide
• PubChem CID: 158918672
• Molecular Formula: C99H114F9N25O14S
• Molecular Weight: 2081.21 g/mol
• Exact Mass: 2079.86
• IUPAC Name: N,N-diethyl-3-(2-methoxyethoxy)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propan-2-yloxybenzamide;3-ethoxy-N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(2-hydroxy-2-methylpropyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide
• SMILES: CCN(CC)C(=O)c1ccc(Nc2nc3ccc(C)cn3n2)c(OC(C)C)c1.CCN(CC)C(=O)c1ccc(Nc2nc3ccc(C)cn3n2)c(OCCOC)c1.CCOc1cc(C(=O)NCCS(C)(=O)=O)ccc1Nc1nc2ccc(C)cn2n1.Cc1ccc2nc(Nc3ccc(C(=O)NCC(C)(C)O)cc3OCC(F)(F)F)nn2c1.Cc1ccc2nc(Nc3ccc(C(=O)NCC(F)(F)F)cc3OCC(F)(F)F)nn2c1
• InChI: InChI=1S/C21H27N5O3.C21H27N5O2.C20H22F3N5O3.C19H23N5O4S.C18H15F6N5O2/c1-5-25(6-2)20(27)16-8-9-17(18(13-16)29-12-11-28-4)22-21-23-19-10-7-15(3)14-26(19)24-21;1-6-25(7-2)20(27)16-9-10-17(18(12-16)28-14(3)4)22-21-23-19-11-8-15(5)13-26(19)24-21;1-12-4-7-16-26-18(27-28(16)9-12)25-14-6-5-13(17(29)24-10-19(2,3)30)8-15(14)31-11-20(21,22)23;1-4-28-16-11-14(18(25)20-9-10-29(3,26)27)6-7-15(16)21-19-22-17-8-5-13(2)12-24(17)23-19;1-10-2-5-14-27-16(28-29(14)7-10)26-12-4-3-11(15(30)25-8-17(19,20)21)6-13(12)31-9-18(22,23)24/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,24);8-14H,6-7H2,1-5H3,(H,22,24);4-9,30H,10-11H2,1-3H3,(H,24,29)(H,25,27);5-8,11-12H,4,9-10H2,1-3H3,(H,20,25)(H,21,23);2-7H,8-9H2,1H3,(H,25,30)(H,26,28)
• InChIKey: JHOCPMOCRDXHRJ-UHFFFAOYSA-N
• XLogP: 16.53
• TPSA: 448.77 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 37
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2081.21
LogP ≤ 5	16.53
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-methoxyethoxy)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propan-2-yloxybenzamide;3-ethoxy-N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(2-hydroxy-2-methylpropyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide?

The IUPAC name of N,N-diethyl-3-(2-methoxyethoxy)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propan-2-yloxybenzamide;3-ethoxy-N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(2-hydroxy-2-methylpropyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide (CID 158918672) is N,N-diethyl-3-(2-methoxyethoxy)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propan-2-yloxybenzamide;3-ethoxy-N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(2-hydroxy-2-methylpropyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide.

What is the SMILES notation for N,N-diethyl-3-(2-methoxyethoxy)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propan-2-yloxybenzamide;3-ethoxy-N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(2-hydroxy-2-methylpropyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide?

The canonical SMILES for N,N-diethyl-3-(2-methoxyethoxy)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propan-2-yloxybenzamide;3-ethoxy-N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(2-hydroxy-2-methylpropyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC)C(=O)c1ccc(Nc2nc3ccc(C)cn3n2)c(OC(C)C)c1.CCN(CC)C(=O)c1ccc(Nc2nc3ccc(C)cn3n2)c(OCCOC)c1.CCOc1cc(C(=O)NCCS(C)(=O)=O)ccc1Nc1nc2ccc(C)cn2n1.Cc1ccc2nc(Nc3ccc(C(=O)NCC(C)(C)O)cc3OCC(F)(F)F)nn2c1.Cc1ccc2nc(Nc3ccc(C(=O)NCC(F)(F)F)cc3OCC(F)(F)F)nn2c1.

What is the InChIKey of N,N-diethyl-3-(2-methoxyethoxy)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propan-2-yloxybenzamide;3-ethoxy-N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(2-hydroxy-2-methylpropyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide?

The InChIKey is JHOCPMOCRDXHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3.C21H27N5O2.C20H22F3N5O3.C19H23N5O4S.C18H15F6N5O2/c1-5-25(6-2)20(27)16-8-9-17(18(13-16)29-12-11-28-4)22-21-23-19-10-7-15(3)14-26(19)24-21;1-6-25(7-2)20(27)16-9-10-17(18(12-16)28-14(3)4)22-21-23-19-11-8-15(5)13-26(19)24-21;1-12-4-7-16-26-18(27-28(16)9-12)25-14-6-5-13(17(29)24-10-19(2,3)30)8-15(14)31-11-20(21,22)23;1-4-28-16-11-14(18(25)20-9-10-29(3,26)27)6-7-15(16)21-19-22-17-8-5-13(2)12-24(17)23-19;1-10-2-5-14-27-16(28-29(14)7-10)26-12-4-3-11(15(30)25-8-17(19,20)21)6-13(12)31-9-18(22,23)24/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,24);8-14H,6-7H2,1-5H3,(H,22,24);4-9,30H,10-11H2,1-3H3,(H,24,29)(H,25,27);5-8,11-12H,4,9-10H2,1-3H3,(H,20,25)(H,21,23);2-7H,8-9H2,1H3,(H,25,30)(H,26,28).

What are the key properties of N,N-diethyl-3-(2-methoxyethoxy)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propan-2-yloxybenzamide;3-ethoxy-N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(2-hydroxy-2-methylpropyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide?

N,N-diethyl-3-(2-methoxyethoxy)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propan-2-yloxybenzamide;3-ethoxy-N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(2-hydroxy-2-methylpropyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 2081.21 g/mol, XLogP of 16.53, 37 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-3-(2-methoxyethoxy)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propan-2-yloxybenzamide;3-ethoxy-N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(2-hydroxy-2-methylpropyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 158918672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).