3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide

C118H126F9N17O9 — CID 157316182

About 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide

3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 157316182) has the molecular formula C118H126F9N17O9 and a molecular weight of 2097.40 g/mol. Its IUPAC name is 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide
• PubChem CID: 157316182
• Molecular Formula: C118H126F9N17O9
• Molecular Weight: 2097.40 g/mol
• Exact Mass: 2095.98
• IUPAC Name: 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide
• SMILES: Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2[nH]c(CO)cc2c1.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2[nH]ccc2c1.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2cc[nH]c2c1.Cc1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2[nH]ccc2c1.Cc1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2c(c1)OCCO2.Cc1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2cc[nH]c2c1
• InChI: InChI=1S/C22H27N3O2.2C21H25N3O.2C18H16F3N3O.C18H17F3N2O3/c1-14-15(5-9-20(23-14)22(2,3)4)6-10-21(27)25-17-7-8-19-16(11-17)12-18(13-26)24-19;1-14-15(5-9-19(23-14)21(2,3)4)6-10-20(25)24-17-7-8-18-16(13-17)11-12-22-18;1-14-15(6-9-19(23-14)21(2,3)4)7-10-20(25)24-17-8-5-16-11-12-22-18(16)13-17;1-11-12(2-6-16(23-11)18(19,20)21)3-7-17(25)24-14-4-5-15-13(10-14)8-9-22-15;1-11-12(3-6-16(23-11)18(19,20)21)4-7-17(25)24-14-5-2-13-8-9-22-15(13)10-14;1-11-12(2-6-16(22-11)18(19,20)21)3-7-17(24)23-13-4-5-14-15(10-13)26-9-8-25-14/h5,7-9,11-12,24,26H,6,10,13H2,1-4H3,(H,25,27);5,7-9,11-13,22H,6,10H2,1-4H3,(H,24,25);5-6,8-9,11-13,22H,7,10H2,1-4H3,(H,24,25);2,4-6,8-10,22H,3,7H2,1H3,(H,24,25);2-3,5-6,8-10,22H,4,7H2,1H3,(H,24,25);2,4-6,10H,3,7-9H2,1H3,(H,23,24)
• InChIKey: BDPTVPFFOJFGLV-UHFFFAOYSA-N
• XLogP: 26.39
• TPSA: 369.58 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2097.40
LogP ≤ 5	26.39
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide?

The IUPAC name of 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 157316182) is 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide.

What is the SMILES notation for 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide?

The canonical SMILES for 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide is Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2[nH]c(CO)cc2c1.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2[nH]ccc2c1.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2cc[nH]c2c1.Cc1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2[nH]ccc2c1.Cc1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2c(c1)OCCO2.Cc1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2cc[nH]c2c1.

What is the InChIKey of 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide?

The InChIKey is BDPTVPFFOJFGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.2C21H25N3O.2C18H16F3N3O.C18H17F3N2O3/c1-14-15(5-9-20(23-14)22(2,3)4)6-10-21(27)25-17-7-8-19-16(11-17)12-18(13-26)24-19;1-14-15(5-9-19(23-14)21(2,3)4)6-10-20(25)24-17-7-8-18-16(13-17)11-12-22-18;1-14-15(6-9-19(23-14)21(2,3)4)7-10-20(25)24-17-8-5-16-11-12-22-18(16)13-17;1-11-12(2-6-16(23-11)18(19,20)21)3-7-17(25)24-14-4-5-15-13(10-14)8-9-22-15;1-11-12(3-6-16(23-11)18(19,20)21)4-7-17(25)24-14-5-2-13-8-9-22-15(13)10-14;1-11-12(2-6-16(22-11)18(19,20)21)3-7-17(24)23-13-4-5-14-15(10-13)26-9-8-25-14/h5,7-9,11-12,24,26H,6,10,13H2,1-4H3,(H,25,27);5,7-9,11-13,22H,6,10H2,1-4H3,(H,24,25);5-6,8-9,11-13,22H,7,10H2,1-4H3,(H,24,25);2,4-6,8-10,22H,3,7H2,1H3,(H,24,25);2-3,5-6,8-10,22H,4,7H2,1H3,(H,24,25);2,4-6,10H,3,7-9H2,1H3,(H,23,24).

What are the key properties of 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide?

3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 2097.40 g/mol, XLogP of 26.39, 25 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 157316182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).