6-(N-butyl-5-tert-butyl-2,3-dimethylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propan-2-ylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid

C97H120F6N12O10 — CID 165093022

About 6-(N-butyl-5-tert-butyl-2,3-dimethylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propan-2-ylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid

6-(N-butyl-5-tert-butyl-2,3-dimethylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propan-2-ylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid (PubChem CID 165093022) has the molecular formula C97H120F6N12O10 and a molecular weight of 1728.09 g/mol. Its IUPAC name is 6-(N-butyl-5-tert-butyl-2,3-dimethylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propan-2-ylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: 6-(N-butyl-5-tert-butyl-2,3-dimethylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propan-2-ylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid
• PubChem CID: 165093022
• Molecular Formula: C97H120F6N12O10
• Molecular Weight: 1728.09 g/mol
• Exact Mass: 1726.92
• IUPAC Name: 6-(N-butyl-5-tert-butyl-2,3-dimethylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propan-2-ylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid
• SMILES: CCCCN(c1ccc(C(=O)O)cn1)c1cc(C(C)(C)C)cc(C)c1C.CCCN(c1ccc(C(=O)O)cn1)c1cc(C(C)(C)C)cc(C)c1C.Cc1cc(C(C)(C)C)cc(N(c2ccc(C(=O)O)cn2)C(C)C)c1C.Cc1cc(N(CC(C)C)c2ncc(C(=O)O)cn2)cc(C(F)(F)F)c1.Cc1cc(N(c2ncc(C(=O)O)cn2)C(C)C)cc(C(F)(F)F)c1
• InChI: InChI=1S/C22H30N2O2.2C21H28N2O2.C17H18F3N3O2.C16H16F3N3O2/c1-7-8-11-24(20-10-9-17(14-23-20)21(25)26)19-13-18(22(4,5)6)12-15(2)16(19)3;1-13(2)23(19-9-8-16(12-22-19)20(24)25)18-11-17(21(5,6)7)10-14(3)15(18)4;1-7-10-23(19-9-8-16(13-22-19)20(24)25)18-12-17(21(4,5)6)11-14(2)15(18)3;1-10(2)9-23(16-21-7-12(8-22-16)15(24)25)14-5-11(3)4-13(6-14)17(18,19)20;1-9(2)22(15-20-7-11(8-21-15)14(23)24)13-5-10(3)4-12(6-13)16(17,18)19/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,26);8-13H,1-7H3,(H,24,25);8-9,11-13H,7,10H2,1-6H3,(H,24,25);4-8,10H,9H2,1-3H3,(H,24,25);4-9H,1-3H3,(H,23,24)
• InChIKey: XAMZMUWALWJDLX-UHFFFAOYSA-N
• XLogP: 24.46
• TPSA: 292.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1728.09
LogP ≤ 5	24.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-(N-butyl-5-tert-butyl-2,3-dimethylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propan-2-ylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid?

The IUPAC name of 6-(N-butyl-5-tert-butyl-2,3-dimethylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propan-2-ylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid (CID 165093022) is 6-(N-butyl-5-tert-butyl-2,3-dimethylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propan-2-ylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid.

What is the SMILES notation for 6-(N-butyl-5-tert-butyl-2,3-dimethylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propan-2-ylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid?

The canonical SMILES for 6-(N-butyl-5-tert-butyl-2,3-dimethylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propan-2-ylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid is CCCCN(c1ccc(C(=O)O)cn1)c1cc(C(C)(C)C)cc(C)c1C.CCCN(c1ccc(C(=O)O)cn1)c1cc(C(C)(C)C)cc(C)c1C.Cc1cc(C(C)(C)C)cc(N(c2ccc(C(=O)O)cn2)C(C)C)c1C.Cc1cc(N(CC(C)C)c2ncc(C(=O)O)cn2)cc(C(F)(F)F)c1.Cc1cc(N(c2ncc(C(=O)O)cn2)C(C)C)cc(C(F)(F)F)c1.

What is the InChIKey of 6-(N-butyl-5-tert-butyl-2,3-dimethylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propan-2-ylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid?

The InChIKey is XAMZMUWALWJDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2.2C21H28N2O2.C17H18F3N3O2.C16H16F3N3O2/c1-7-8-11-24(20-10-9-17(14-23-20)21(25)26)19-13-18(22(4,5)6)12-15(2)16(19)3;1-13(2)23(19-9-8-16(12-22-19)20(24)25)18-11-17(21(5,6)7)10-14(3)15(18)4;1-7-10-23(19-9-8-16(13-22-19)20(24)25)18-12-17(21(4,5)6)11-14(2)15(18)3;1-10(2)9-23(16-21-7-12(8-22-16)15(24)25)14-5-11(3)4-13(6-14)17(18,19)20;1-9(2)22(15-20-7-11(8-21-15)14(23)24)13-5-10(3)4-12(6-13)16(17,18)19/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,26);8-13H,1-7H3,(H,24,25);8-9,11-13H,7,10H2,1-6H3,(H,24,25);4-8,10H,9H2,1-3H3,(H,24,25);4-9H,1-3H3,(H,23,24).

What are the key properties of 6-(N-butyl-5-tert-butyl-2,3-dimethylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propan-2-ylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid?

6-(N-butyl-5-tert-butyl-2,3-dimethylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propan-2-ylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid has a molecular weight of 1728.09 g/mol, XLogP of 24.46, 24 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(N-butyl-5-tert-butyl-2,3-dimethylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propan-2-ylanilino)pyridine-3-carboxylic acid;6-(5-tert-butyl-2,3-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 165093022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).