2-[4-(3-butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid

C126H150F3N19O15S — CID 157484832

About 2-[4-(3-butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid

2-[4-(3-butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid (PubChem CID 157484832) has the molecular formula C126H150F3N19O15S and a molecular weight of 2259.76 g/mol. Its IUPAC name is 2-[4-(3-butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[4-(3-butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid
• PubChem CID: 157484832
• Molecular Formula: C126H150F3N19O15S
• Molecular Weight: 2259.76 g/mol
• Exact Mass: 2258.12
• IUPAC Name: 2-[4-(3-butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid
• SMILES: CCCCCCc1cccnc1CCCCc1cc(C(=O)O)cc(C)n1.CCCCc1cccnc1CCCCc1cc(C(=O)O)cc(C)n1.CCc1cc(C(=O)O)cc(CCCc2nccn2Cc2ccc(F)cc2)n1.Cc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1CCCC(C)C.Cc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1Cc1ccc(F)cc1.O=C(O)c1cc(CO)nc(CCCc2nnc(Cc3cccs3)n2Cc2ccc(F)cc2)c1
• InChI: InChI=1S/C24H23FN4O3S.C22H30N2O2.C21H22FN3O2.C20H21FN4O3.C20H26N2O2.C19H28N4O3/c25-18-8-6-16(7-9-18)14-29-22(27-28-23(29)13-21-4-2-10-33-21)5-1-3-19-11-17(24(31)32)12-20(15-30)26-19;1-3-4-5-6-10-18-11-9-14-23-21(18)13-8-7-12-20-16-19(22(25)26)15-17(2)24-20;1-2-18-12-16(21(26)27)13-19(24-18)4-3-5-20-23-10-11-25(20)14-15-6-8-17(22)9-7-15;1-13-23-24-19(25(13)11-14-5-7-16(21)8-6-14)4-2-3-17-9-15(20(27)28)10-18(12-26)22-17;1-3-4-8-16-9-7-12-21-19(16)11-6-5-10-18-14-17(20(23)24)13-15(2)22-18;1-13(2)6-5-9-23-14(3)21-22-18(23)8-4-7-16-10-15(19(25)26)11-17(12-24)20-16/h2,4,6-12,30H,1,3,5,13-15H2,(H,31,32);9,11,14-16H,3-8,10,12-13H2,1-2H3,(H,25,26);6-13H,2-5,14H2,1H3,(H,26,27);5-10,26H,2-4,11-12H2,1H3,(H,27,28);7,9,12-14H,3-6,8,10-11H2,1-2H3,(H,23,24);10-11,13,24H,4-9,12H2,1-3H3,(H,25,26)
• InChIKey: BWOWZEJSACBEHA-UHFFFAOYSA-N
• XLogP: 22.66
• TPSA: 497.56 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 56
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2259.76
LogP ≤ 5	22.66
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid?

The IUPAC name of 2-[4-(3-butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid (CID 157484832) is 2-[4-(3-butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[4-(3-butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-[4-(3-butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid is CCCCCCc1cccnc1CCCCc1cc(C(=O)O)cc(C)n1.CCCCc1cccnc1CCCCc1cc(C(=O)O)cc(C)n1.CCc1cc(C(=O)O)cc(CCCc2nccn2Cc2ccc(F)cc2)n1.Cc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1CCCC(C)C.Cc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1Cc1ccc(F)cc1.O=C(O)c1cc(CO)nc(CCCc2nnc(Cc3cccs3)n2Cc2ccc(F)cc2)c1.

What is the InChIKey of 2-[4-(3-butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid?

The InChIKey is BWOWZEJSACBEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S.C22H30N2O2.C21H22FN3O2.C20H21FN4O3.C20H26N2O2.C19H28N4O3/c25-18-8-6-16(7-9-18)14-29-22(27-28-23(29)13-21-4-2-10-33-21)5-1-3-19-11-17(24(31)32)12-20(15-30)26-19;1-3-4-5-6-10-18-11-9-14-23-21(18)13-8-7-12-20-16-19(22(25)26)15-17(2)24-20;1-2-18-12-16(21(26)27)13-19(24-18)4-3-5-20-23-10-11-25(20)14-15-6-8-17(22)9-7-15;1-13-23-24-19(25(13)11-14-5-7-16(21)8-6-14)4-2-3-17-9-15(20(27)28)10-18(12-26)22-17;1-3-4-8-16-9-7-12-21-19(16)11-6-5-10-18-14-17(20(23)24)13-15(2)22-18;1-13(2)6-5-9-23-14(3)21-22-18(23)8-4-7-16-10-15(19(25)26)11-17(12-24)20-16/h2,4,6-12,30H,1,3,5,13-15H2,(H,31,32);9,11,14-16H,3-8,10,12-13H2,1-2H3,(H,25,26);6-13H,2-5,14H2,1H3,(H,26,27);5-10,26H,2-4,11-12H2,1H3,(H,27,28);7,9,12-14H,3-6,8,10-11H2,1-2H3,(H,23,24);10-11,13,24H,4-9,12H2,1-3H3,(H,25,26).

What are the key properties of 2-[4-(3-butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid?

2-[4-(3-butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid has a molecular weight of 2259.76 g/mol, XLogP of 22.66, 56 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 157484832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).