2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid

C156H191F9N16O27 — CID 159931149

About 2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid

2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 159931149) has the molecular formula C156H191F9N16O27 and a molecular weight of 2893.31 g/mol. Its IUPAC name is 2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

• Compound Name: 2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• PubChem CID: 159931149
• Molecular Formula: C156H191F9N16O27
• Molecular Weight: 2893.31 g/mol
• Exact Mass: 2891.39
• IUPAC Name: 2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• SMILES: CCN(CC)c1ccc(NC(=O)c2cccc(CCCOCCOCCOCCOCCC(=O)N3CCN(c4ccc(O)cc4)CC3)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CCN(CC)c1ccc(NC(=O)c2cccc(CCCOCCOCCOCCOCCC(=O)N3CCN(c4ccc(OCCOCCOCCOC)cc4)CC3)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CCN(CC)c1ccc(NC(=O)c2cccc(CCCOCCOCCOCCOCCC(=O)O)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1
• InChI: InChI=1S/C60H77F3N6O11.C53H63F3N6O8.C43H51F3N4O8/c1-4-67(5-2)52-16-19-55(54(44-52)56-43-49(20-22-64-56)58(71)65-45-47-10-7-13-50(42-47)60(61,62)63)66-59(72)48-12-6-9-46(41-48)11-8-27-74-31-33-77-36-37-78-34-32-75-28-21-57(70)69-25-23-68(24-26-69)51-14-17-53(18-15-51)80-40-39-79-38-35-76-30-29-73-3;1-3-60(4-2)45-15-18-48(47(37-45)49-36-42(19-21-57-49)51(65)58-38-40-9-6-12-43(35-40)53(54,55)56)59-52(66)41-11-5-8-39(34-41)10-7-26-67-28-30-69-32-33-70-31-29-68-27-20-50(64)62-24-22-61(23-25-62)44-13-16-46(63)17-14-44;1-3-50(4-2)36-13-14-38(37(29-36)39-28-34(15-17-47-39)41(53)48-30-32-9-6-12-35(27-32)43(44,45)46)49-42(54)33-11-5-8-31(26-33)10-7-18-55-20-22-57-24-25-58-23-21-56-19-16-40(51)52/h6-7,9-10,12-20,22,41-44H,4-5,8,11,21,23-40,45H2,1-3H3,(H,65,71)(H,66,72);5-6,8-9,11-19,21,34-37,63H,3-4,7,10,20,22-33,38H2,1-2H3,(H,58,65)(H,59,66);5-6,8-9,11-15,17,26-29H,3-4,7,10,16,18-25,30H2,1-2H3,(H,48,53)(H,49,54)(H,51,52)
• InChIKey: NZQOTWXYRDXTOL-UHFFFAOYSA-N
• XLogP: 24.10
• TPSA: 475.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 87
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2893.31
LogP ≤ 5	24.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The IUPAC name of 2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 159931149) is 2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

What is the SMILES notation for 2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The canonical SMILES for 2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid is CCN(CC)c1ccc(NC(=O)c2cccc(CCCOCCOCCOCCOCCC(=O)N3CCN(c4ccc(O)cc4)CC3)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CCN(CC)c1ccc(NC(=O)c2cccc(CCCOCCOCCOCCOCCC(=O)N3CCN(c4ccc(OCCOCCOCCOC)cc4)CC3)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CCN(CC)c1ccc(NC(=O)c2cccc(CCCOCCOCCOCCOCCC(=O)O)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.

What is the InChIKey of 2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The InChIKey is NZQOTWXYRDXTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H77F3N6O11.C53H63F3N6O8.C43H51F3N4O8/c1-4-67(5-2)52-16-19-55(54(44-52)56-43-49(20-22-64-56)58(71)65-45-47-10-7-13-50(42-47)60(61,62)63)66-59(72)48-12-6-9-46(41-48)11-8-27-74-31-33-77-36-37-78-34-32-75-28-21-57(70)69-25-23-68(24-26-69)51-14-17-53(18-15-51)80-40-39-79-38-35-76-30-29-73-3;1-3-60(4-2)45-15-18-48(47(37-45)49-36-42(19-21-57-49)51(65)58-38-40-9-6-12-43(35-40)53(54,55)56)59-52(66)41-11-5-8-39(34-41)10-7-26-67-28-30-69-32-33-70-31-29-68-27-20-50(64)62-24-22-61(23-25-62)44-13-16-46(63)17-14-44;1-3-50(4-2)36-13-14-38(37(29-36)39-28-34(15-17-47-39)41(53)48-30-32-9-6-12-35(27-32)43(44,45)46)49-42(54)33-11-5-8-31(26-33)10-7-18-55-20-22-57-24-25-58-23-21-56-19-16-40(51)52/h6-7,9-10,12-20,22,41-44H,4-5,8,11,21,23-40,45H2,1-3H3,(H,65,71)(H,66,72);5-6,8-9,11-19,21,34-37,63H,3-4,7,10,20,22-33,38H2,1-2H3,(H,58,65)(H,59,66);5-6,8-9,11-15,17,26-29H,3-4,7,10,16,18-25,30H2,1-2H3,(H,48,53)(H,49,54)(H,51,52).

What are the key properties of 2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 2893.31 g/mol, XLogP of 24.10, 87 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 159931149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).