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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid

C134H159F9N14O14 — CID 165104681

IUPAC6-(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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESCCCCN(c1cc(C)cc(C(F)(F)F)c1)c1ccc(C(=O)O)cn1.CCCCN(c1ccc(C(=O)O)cn1)c1cc(C(C)(C)C)cc(C)c1C.CCCN(c1cc(C)cc(C(F)(F)F)c1)c1ccc(C(=O)O)cn1.CCCN(c1cc(C)cc(C)c1)c1ccc(C(=O)O)cn1.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(CC2CC2)c2ccc(C(=O)O)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H30N2O2.2C21H28N2O2.C18H17F3N2O2.C18H19F3N2O2.C17H17F3N2O2.C17H20N2O2/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;1-11-6-14(18(19,20)21)8-15(7-11)23(10-12-2-3-12)16-5-4-13(9-22-16)17(24)25;1-3-4-7-23(16-6-5-13(11-22-16)17(24)25)15-9-12(2)8-14(10-15)18(19,20)21;1-3-6-22(15-5-4-12(10-21-15)16(23)24)14-8-11(2)7-13(9-14)17(18,19)20;1-4-7-19(15-9-12(2)8-13(3)10-15)16-6-5-14(11-18-16)17(20)21/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);4-9,12H,2-3,10H2,1H3,(H,24,25);5-6,8-11H,3-4,7H2,1-2H3,(H,24,25);4-5,7-10H,3,6H2,1-2H3,(H,23,24);5-6,8-11H,4,7H2,1-3H3,(H,20,21)
InChIKeyYXUNJOQHBPBEEL-UHFFFAOYSA-N
MW2360.81 g/mol
LogP34.42
Rot. Bonds36

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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (PubChem CID 165104681) has the molecular formula C134H159F9N14O14 and a molecular weight of 2360.81 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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
PubChem CID165104681
Molecular FormulaC134H159F9N14O14
Molecular Weight2360.81 g/mol
Exact Mass2359.20
IUPAC Name6-(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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESCCCCN(c1cc(C)cc(C(F)(F)F)c1)c1ccc(C(=O)O)cn1.CCCCN(c1ccc(C(=O)O)cn1)c1cc(C(C)(C)C)cc(C)c1C.CCCN(c1cc(C)cc(C(F)(F)F)c1)c1ccc(C(=O)O)cn1.CCCN(c1cc(C)cc(C)c1)c1ccc(C(=O)O)cn1.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(CC2CC2)c2ccc(C(=O)O)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H30N2O2.2C21H28N2O2.C18H17F3N2O2.C18H19F3N2O2.C17H17F3N2O2.C17H20N2O2/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;1-11-6-14(18(19,20)21)8-15(7-11)23(10-12-2-3-12)16-5-4-13(9-22-16)17(24)25;1-3-4-7-23(16-6-5-13(11-22-16)17(24)25)15-9-12(2)8-14(10-15)18(19,20)21;1-3-6-22(15-5-4-12(10-21-15)16(23)24)14-8-11(2)7-13(9-14)17(18,19)20;1-4-7-19(15-9-12(2)8-13(3)10-15)16-6-5-14(11-18-16)17(20)21/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);4-9,12H,2-3,10H2,1H3,(H,24,25);5-6,8-11H,3-4,7H2,1-2H3,(H,24,25);4-5,7-10H,3,6H2,1-2H3,(H,23,24);5-6,8-11H,4,7H2,1-3H3,(H,20,21)
InChIKeyYXUNJOQHBPBEEL-UHFFFAOYSA-N
XLogP34.42
TPSA374.01 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds36
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002360.81
LogP ≤ 534.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze 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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid with MolForge

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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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (CID 165104681) 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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is CCCCN(c1cc(C)cc(C(F)(F)F)c1)c1ccc(C(=O)O)cn1.CCCCN(c1ccc(C(=O)O)cn1)c1cc(C(C)(C)C)cc(C)c1C.CCCN(c1cc(C)cc(C(F)(F)F)c1)c1ccc(C(=O)O)cn1.CCCN(c1cc(C)cc(C)c1)c1ccc(C(=O)O)cn1.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(CC2CC2)c2ccc(C(=O)O)cn2)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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is YXUNJOQHBPBEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2.2C21H28N2O2.C18H17F3N2O2.C18H19F3N2O2.C17H17F3N2O2.C17H20N2O2/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;1-11-6-14(18(19,20)21)8-15(7-11)23(10-12-2-3-12)16-5-4-13(9-22-16)17(24)25;1-3-4-7-23(16-6-5-13(11-22-16)17(24)25)15-9-12(2)8-14(10-15)18(19,20)21;1-3-6-22(15-5-4-12(10-21-15)16(23)24)14-8-11(2)7-13(9-14)17(18,19)20;1-4-7-19(15-9-12(2)8-13(3)10-15)16-6-5-14(11-18-16)17(20)21/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);4-9,12H,2-3,10H2,1H3,(H,24,25);5-6,8-11H,3-4,7H2,1-2H3,(H,24,25);4-5,7-10H,3,6H2,1-2H3,(H,23,24);5-6,8-11H,4,7H2,1-3H3,(H,20,21).
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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid has a molecular weight of 2360.81 g/mol, XLogP of 34.42, 36 rotatable bonds, 7 hydrogen bond donors, and 21 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;6-[N-butyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-[N-(cyclopropylmethyl)-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;6-(3,5-dimethyl-N-propylanilino)pyridine-3-carboxylic acid;6-[3-methyl-N-propyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 165104681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).