6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid

C135H179F3N10O14 — CID 164999597

IUPAC6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESCC(C)(C)c1cc(N(CC2CC2)c2ccc(C(=O)O)cn2)cc(C(C)(C)C)c1.CC(C)CN(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(C(=O)O)cn1.CCCCN(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(C(=O)O)cn1.CCN(c1cc(C)cc(C(F)(F)F)c1)c1ccc(C(=O)O)cn1.CCN(c1ccc(C(=O)O)cc1)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1.CCN(c1ccc(C(=O)O)cc1)c1cc(C(C)C)c(OCC(C)C)cc1C
InChIInChI=1S/C24H32N2O2.2C24H34N2O2.C24H33NO3.C23H31NO3.C16H15F3N2O2/c1-23(2,3)18-11-19(24(4,5)6)13-20(12-18)26(15-16-7-8-16)21-10-9-17(14-25-21)22(27)28;1-16(2)15-26(21-10-9-17(14-25-21)22(27)28)20-12-18(23(3,4)5)11-19(13-20)24(6,7)8;1-8-9-12-26(21-11-10-17(16-25-21)22(27)28)20-14-18(23(2,3)4)13-19(15-20)24(5,6)7;1-9-25(17-12-10-16(11-13-17)22(26)27)18-14-19(23(2,3)4)21(28-8)20(15-18)24(5,6)7;1-7-24(19-10-8-18(9-11-19)23(25)26)21-13-20(16(4)5)22(12-17(21)6)27-14-15(2)3;1-3-21(14-5-4-11(9-20-14)15(22)23)13-7-10(2)6-12(8-13)16(17,18)19/h9-14,16H,7-8,15H2,1-6H3,(H,27,28);9-14,16H,15H2,1-8H3,(H,27,28);10-11,13-16H,8-9,12H2,1-7H3,(H,27,28);10-15H,9H2,1-8H3,(H,26,27);8-13,15-16H,7,14H2,1-6H3,(H,25,26);4-9H,3H2,1-2H3,(H,22,23)
InChIKeyIAZQYHSGABFTQY-UHFFFAOYSA-N
MW2222.97 g/mol
LogP34.83
Rot. Bonds33

About 6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid

6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (PubChem CID 164999597) has the molecular formula C135H179F3N10O14 and a molecular weight of 2222.97 g/mol. Its IUPAC name is 6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
PubChem CID164999597
Molecular FormulaC135H179F3N10O14
Molecular Weight2222.97 g/mol
Exact Mass2221.36
IUPAC Name6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESCC(C)(C)c1cc(N(CC2CC2)c2ccc(C(=O)O)cn2)cc(C(C)(C)C)c1.CC(C)CN(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(C(=O)O)cn1.CCCCN(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(C(=O)O)cn1.CCN(c1cc(C)cc(C(F)(F)F)c1)c1ccc(C(=O)O)cn1.CCN(c1ccc(C(=O)O)cc1)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1.CCN(c1ccc(C(=O)O)cc1)c1cc(C(C)C)c(OCC(C)C)cc1C
InChIInChI=1S/C24H32N2O2.2C24H34N2O2.C24H33NO3.C23H31NO3.C16H15F3N2O2/c1-23(2,3)18-11-19(24(4,5)6)13-20(12-18)26(15-16-7-8-16)21-10-9-17(14-25-21)22(27)28;1-16(2)15-26(21-10-9-17(14-25-21)22(27)28)20-12-18(23(3,4)5)11-19(13-20)24(6,7)8;1-8-9-12-26(21-11-10-17(16-25-21)22(27)28)20-14-18(23(2,3)4)13-19(15-20)24(5,6)7;1-9-25(17-12-10-16(11-13-17)22(26)27)18-14-19(23(2,3)4)21(28-8)20(15-18)24(5,6)7;1-7-24(19-10-8-18(9-11-19)23(25)26)21-13-20(16(4)5)22(12-17(21)6)27-14-15(2)3;1-3-21(14-5-4-11(9-20-14)15(22)23)13-7-10(2)6-12(8-13)16(17,18)19/h9-14,16H,7-8,15H2,1-6H3,(H,27,28);9-14,16H,15H2,1-8H3,(H,27,28);10-11,13-16H,8-9,12H2,1-7H3,(H,27,28);10-15H,9H2,1-8H3,(H,26,27);8-13,15-16H,7,14H2,1-6H3,(H,25,26);4-9H,3H2,1-2H3,(H,22,23)
InChIKeyIAZQYHSGABFTQY-UHFFFAOYSA-N
XLogP34.83
TPSA313.26 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds33
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002222.97
LogP ≤ 534.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-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-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (CID 164999597) is 6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is CC(C)(C)c1cc(N(CC2CC2)c2ccc(C(=O)O)cn2)cc(C(C)(C)C)c1.CC(C)CN(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(C(=O)O)cn1.CCCCN(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(C(=O)O)cn1.CCN(c1cc(C)cc(C(F)(F)F)c1)c1ccc(C(=O)O)cn1.CCN(c1ccc(C(=O)O)cc1)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1.CCN(c1ccc(C(=O)O)cc1)c1cc(C(C)C)c(OCC(C)C)cc1C.
What is the InChIKey of 6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is IAZQYHSGABFTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2.2C24H34N2O2.C24H33NO3.C23H31NO3.C16H15F3N2O2/c1-23(2,3)18-11-19(24(4,5)6)13-20(12-18)26(15-16-7-8-16)21-10-9-17(14-25-21)22(27)28;1-16(2)15-26(21-10-9-17(14-25-21)22(27)28)20-12-18(23(3,4)5)11-19(13-20)24(6,7)8;1-8-9-12-26(21-11-10-17(16-25-21)22(27)28)20-14-18(23(2,3)4)13-19(15-20)24(5,6)7;1-9-25(17-12-10-16(11-13-17)22(26)27)18-14-19(23(2,3)4)21(28-8)20(15-18)24(5,6)7;1-7-24(19-10-8-18(9-11-19)23(25)26)21-13-20(16(4)5)22(12-17(21)6)27-14-15(2)3;1-3-21(14-5-4-11(9-20-14)15(22)23)13-7-10(2)6-12(8-13)16(17,18)19/h9-14,16H,7-8,15H2,1-6H3,(H,27,28);9-14,16H,15H2,1-8H3,(H,27,28);10-11,13-16H,8-9,12H2,1-7H3,(H,27,28);10-15H,9H2,1-8H3,(H,26,27);8-13,15-16H,7,14H2,1-6H3,(H,25,26);4-9H,3H2,1-2H3,(H,22,23).
What are the key properties of 6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid has a molecular weight of 2222.97 g/mol, XLogP of 34.83, 33 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-butyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyridine-3-carboxylic acid;4-(3,5-ditert-butyl-N-ethyl-4-methoxyanilino)benzoic acid;6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid;4-[N-ethyl-2-methyl-4-(2-methylpropoxy)-5-propan-2-ylanilino]benzoic acid;6-[N-ethyl-3-methyl-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 164999597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).