6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid

C155H189F2N13O14 — CID 157051200

About 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid

6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid (PubChem CID 157051200) has the molecular formula C155H189F2N13O14 and a molecular weight of 2496.29 g/mol. Its IUPAC name is 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid
• PubChem CID: 157051200
• Molecular Formula: C155H189F2N13O14
• Molecular Weight: 2496.29 g/mol
• Exact Mass: 2494.44
• IUPAC Name: 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid
• SMILES: C=C(c1ccc(C(=O)O)c(F)c1)c1cc2c(cc1C)C(C)(C)CC2(C)C.C=C(c1ncc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CC2(C)C.CCN(c1ccc(C(=O)O)c(F)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C.CCN(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ncc(C(=O)O)cn1.CCN(c1ncc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ncc(C(=O)O)cn3)CC1)C(C)(C)CC2(C)C
• InChI: InChI=1S/C23H28FNO2.C23H25FO2.C23H30N2O2.C22H29N3O2.C22H26N2O2.C21H27N3O2.C21H24N2O2/c1-6-25(16-7-9-17(21(26)27)20(24)14-16)15-8-10-18-19(13-15)23(4,5)12-11-22(18,2)3;1-13-9-18-19(23(5,6)12-22(18,3)4)11-17(13)14(2)15-7-8-16(21(25)26)20(24)10-15;1-7-25(20-9-8-16(14-24-20)21(26)27)19-13-18-17(12-15(19)2)22(3,4)10-11-23(18,5)6;1-7-25(20-23-12-15(13-24-20)19(26)27)18-11-17-16(10-14(18)2)21(3,4)8-9-22(17,5)6;1-13-8-16-17(21(4,5)12-20(16,2)3)9-15(13)22(6-7-22)19-23-10-14(11-24-19)18(25)26;1-6-24(19-22-12-14(13-23-19)18(25)26)15-7-8-16-17(11-15)21(4,5)10-9-20(16,2)3;1-12-7-16-17(21(5,6)11-20(16,3)4)8-15(12)13(2)18-22-9-14(10-23-18)19(24)25/h7-10,13-14H,6,11-12H2,1-5H3,(H,26,27);7-11H,2,12H2,1,3-6H3,(H,25,26);8-9,12-14H,7,10-11H2,1-6H3,(H,26,27);10-13H,7-9H2,1-6H3,(H,26,27);8-11H,6-7,12H2,1-5H3,(H,25,26);7-8,11-13H,6,9-10H2,1-5H3,(H,25,26);7-10H,2,11H2,1,3-6H3,(H,24,25)
• InChIKey: AAFNDDOJEVCDTG-UHFFFAOYSA-N
• XLogP: 36.18
• TPSA: 390.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2496.29
LogP ≤ 5	36.18
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid?

The IUPAC name of 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid (CID 157051200) is 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid.

What is the SMILES notation for 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid?

The canonical SMILES for 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid is C=C(c1ccc(C(=O)O)c(F)c1)c1cc2c(cc1C)C(C)(C)CC2(C)C.C=C(c1ncc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CC2(C)C.CCN(c1ccc(C(=O)O)c(F)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C.CCN(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ncc(C(=O)O)cn1.CCN(c1ncc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ncc(C(=O)O)cn3)CC1)C(C)(C)CC2(C)C.

What is the InChIKey of 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid?

The InChIKey is AAFNDDOJEVCDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO2.C23H25FO2.C23H30N2O2.C22H29N3O2.C22H26N2O2.C21H27N3O2.C21H24N2O2/c1-6-25(16-7-9-17(21(26)27)20(24)14-16)15-8-10-18-19(13-15)23(4,5)12-11-22(18,2)3;1-13-9-18-19(23(5,6)12-22(18,3)4)11-17(13)14(2)15-7-8-16(21(25)26)20(24)10-15;1-7-25(20-9-8-16(14-24-20)21(26)27)19-13-18-17(12-15(19)2)22(3,4)10-11-23(18,5)6;1-7-25(20-23-12-15(13-24-20)19(26)27)18-11-17-16(10-14(18)2)21(3,4)8-9-22(17,5)6;1-13-8-16-17(21(4,5)12-20(16,2)3)9-15(13)22(6-7-22)19-23-10-14(11-24-19)18(25)26;1-6-24(19-22-12-14(13-23-19)18(25)26)15-7-8-16-17(11-15)21(4,5)10-9-20(16,2)3;1-12-7-16-17(21(5,6)11-20(16,3)4)8-15(12)13(2)18-22-9-14(10-23-18)19(24)25/h7-10,13-14H,6,11-12H2,1-5H3,(H,26,27);7-11H,2,12H2,1,3-6H3,(H,25,26);8-9,12-14H,7,10-11H2,1-6H3,(H,26,27);10-13H,7-9H2,1-6H3,(H,26,27);8-11H,6-7,12H2,1-5H3,(H,25,26);7-8,11-13H,6,9-10H2,1-5H3,(H,25,26);7-10H,2,11H2,1,3-6H3,(H,24,25).

What are the key properties of 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid?

6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid has a molecular weight of 2496.29 g/mol, XLogP of 36.18, 25 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 157051200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).