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

C153H166F6N18O12 — CID 158110568

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

3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide (PubChem CID 158110568) has the molecular formula C153H166F6N18O12 and a molecular weight of 2563.11 g/mol. Its IUPAC name is 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide
• PubChem CID: 158110568
• Molecular Formula: C153H166F6N18O12
• Molecular Weight: 2563.11 g/mol
• Exact Mass: 2561.28
• IUPAC Name: 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide
• SMILES: CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1.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)Nc1ccc2c(c1)OCCO2.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2cc[nH]c2c1.Cc1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)cc1-c1cccnc1)Nc1ccc2cc[nH]c2c1
• InChI: InChI=1S/C27H29NO3.C23H18F3N3O.C22H27N3O2.2C21H25N3O.C21H26N2O3.C18H16F3N3O/c1-27(2,3)21-11-9-20(10-12-21)23(19-7-5-4-6-8-19)18-26(29)28-22-13-14-24-25(17-22)31-16-15-30-24;24-23(25,26)18-6-3-15(20(12-18)17-2-1-10-27-14-17)5-8-22(30)29-19-7-4-16-9-11-28-21(16)13-19;1-14-15(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;1-14-15(5-9-19(22-14)21(2,3)4)6-10-20(24)23-16-7-8-17-18(13-16)26-12-11-25-17;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/h4-14,17,23H,15-16,18H2,1-3H3,(H,28,29);1-4,6-7,9-14,28H,5,8H2,(H,29,30);5,7-9,11-12,24,26H,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);5,7-9,13H,6,10-12H2,1-4H3,(H,23,24);2-3,5-6,8-10,22H,4,7H2,1H3,(H,24,25)
• InChIKey: FQJLHHBHGCOCTG-UHFFFAOYSA-N
• XLogP: 33.94
• TPSA: 417.14 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 18
• Rotatable Bonds: 31
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2563.11
LogP ≤ 5	33.94
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide (CID 158110568) is 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide.

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

The canonical SMILES for 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide is CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1.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)Nc1ccc2c(c1)OCCO2.Cc1nc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2cc[nH]c2c1.Cc1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)cc1-c1cccnc1)Nc1ccc2cc[nH]c2c1.

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

The InChIKey is FQJLHHBHGCOCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO3.C23H18F3N3O.C22H27N3O2.2C21H25N3O.C21H26N2O3.C18H16F3N3O/c1-27(2,3)21-11-9-20(10-12-21)23(19-7-5-4-6-8-19)18-26(29)28-22-13-14-24-25(17-22)31-16-15-30-24;24-23(25,26)18-6-3-15(20(12-18)17-2-1-10-27-14-17)5-8-22(30)29-19-7-4-16-9-11-28-21(16)13-19;1-14-15(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;1-14-15(5-9-19(22-14)21(2,3)4)6-10-20(24)23-16-7-8-17-18(13-16)26-12-11-25-17;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/h4-14,17,23H,15-16,18H2,1-3H3,(H,28,29);1-4,6-7,9-14,28H,5,8H2,(H,29,30);5,7-9,11-12,24,26H,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);5,7-9,13H,6,10-12H2,1-4H3,(H,23,24);2-3,5-6,8-10,22H,4,7H2,1H3,(H,24,25).

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

3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 2563.11 g/mol, XLogP of 33.94, 31 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 158110568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).