3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide

C126H129F13N16O11 — CID 160713993

About 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide

3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide (PubChem CID 160713993) has the molecular formula C126H129F13N16O11 and a molecular weight of 2290.49 g/mol. Its IUPAC name is 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide.

Molecular Properties

• Compound Name: 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
• PubChem CID: 160713993
• Molecular Formula: C126H129F13N16O11
• Molecular Weight: 2290.49 g/mol
• Exact Mass: 2288.98
• IUPAC Name: 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
• SMILES: CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)CC3)cn1.CCOC(=O)c1c(NC(=O)CCc2ccc(C(C)(C)C)cc2)[nH]c2ccccc12.O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cccnc2c1
• InChI: InChI=1S/C24H28N2O3.C23H23F3N4O.C22H24F3N3O3.C21H25N3O2.C18H14F4N2O.C18H15F3N2O/c1-5-29-23(28)21-18-8-6-7-9-19(18)25-22(21)26-20(27)15-12-16-10-13-17(14-11-16)24(2,3)4;24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18;23-22(24,25)19-8-4-15(21(27-19)28-10-2-1-3-11-28)5-9-20(29)26-16-6-7-17-18(14-16)31-13-12-30-17;1-21(2,3)18-9-4-14(13-22-18)5-10-19(25)23-16-8-6-15-7-11-20(26)24-17(15)12-16;19-15-9-13(18(20,21)22)4-1-11(15)3-6-17(25)24-14-5-2-12-7-8-23-16(12)10-14;19-18(20,21)14-4-1-12(2-5-14)3-8-17(24)23-15-6-7-16-13(11-15)9-10-22-16/h6-11,13-14,25H,5,12,15H2,1-4H3,(H,26,27);4-7,9-10,12,15H,1-3,8,11,13-14H2,(H,28,31);4,6-8,14H,1-3,5,9-13H2,(H,26,29);4,6,8-9,12-13H,5,7,10-11H2,1-3H3,(H,23,25)(H,24,26);1-2,4-5,7-10,23H,3,6H2,(H,24,25);1-2,4-7,9-11,22H,3,8H2,(H,23,24)
• InChIKey: RSFOGQZVWWXFJX-UHFFFAOYSA-N
• XLogP: 28.35
• TPSA: 353.87 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2290.49
LogP ≤ 5	28.35
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?

The IUPAC name of 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide (CID 160713993) is 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide.

What is the SMILES notation for 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?

The canonical SMILES for 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide is CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)CC3)cn1.CCOC(=O)c1c(NC(=O)CCc2ccc(C(C)(C)C)cc2)[nH]c2ccccc12.O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cccnc2c1.

What is the InChIKey of 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?

The InChIKey is RSFOGQZVWWXFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3.C23H23F3N4O.C22H24F3N3O3.C21H25N3O2.C18H14F4N2O.C18H15F3N2O/c1-5-29-23(28)21-18-8-6-7-9-19(18)25-22(21)26-20(27)15-12-16-10-13-17(14-11-16)24(2,3)4;24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18;23-22(24,25)19-8-4-15(21(27-19)28-10-2-1-3-11-28)5-9-20(29)26-16-6-7-17-18(14-16)31-13-12-30-17;1-21(2,3)18-9-4-14(13-22-18)5-10-19(25)23-16-8-6-15-7-11-20(26)24-17(15)12-16;19-15-9-13(18(20,21)22)4-1-11(15)3-6-17(25)24-14-5-2-12-7-8-23-16(12)10-14;19-18(20,21)14-4-1-12(2-5-14)3-8-17(24)23-15-6-7-16-13(11-15)9-10-22-16/h6-11,13-14,25H,5,12,15H2,1-4H3,(H,26,27);4-7,9-10,12,15H,1-3,8,11,13-14H2,(H,28,31);4,6-8,14H,1-3,5,9-13H2,(H,26,29);4,6,8-9,12-13H,5,7,10-11H2,1-3H3,(H,23,25)(H,24,26);1-2,4-5,7-10,23H,3,6H2,(H,24,25);1-2,4-7,9-11,22H,3,8H2,(H,23,24).

What are the key properties of 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?

3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide has a molecular weight of 2290.49 g/mol, XLogP of 28.35, 28 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide is sourced from PubChem (CID 160713993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).