2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid

C138H147F12N17O17 — CID 162033201

IUPAC2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid
SMILESCCN(CC)c1ccc(N)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCOCCOCCOCCC(=O)OC(C)(C)C)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)O)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1
InChIInChI=1S/C46H56F3N5O8.C36H37F3N4O4.C32H29F3N4O4.C24H25F3N4O/c1-7-54(8-2)37-15-16-39(38(30-37)40-29-34(17-19-50-40)42(56)51-31-32-11-9-14-36(27-32)46(47,48)49)52-43(57)33-12-10-13-35(28-33)44(58)53(6)20-22-60-24-26-61-25-23-59-21-18-41(55)62-45(3,4)5;1-6-43(7-2)28-14-15-30(42-33(45)24-11-9-12-26(19-24)34(46)47-35(3,4)5)29(21-28)31-20-25(16-17-40-31)32(44)41-22-23-10-8-13-27(18-23)36(37,38)39;1-3-39(4-2)25-11-12-27(38-30(41)21-8-6-9-23(16-21)31(42)43)26(18-25)28-17-22(13-14-36-28)29(40)37-19-20-7-5-10-24(15-20)32(33,34)35;1-3-31(4-2)19-8-9-21(28)20(14-19)22-13-17(10-11-29-22)23(32)30-15-16-6-5-7-18(12-16)24(25,26)27/h9-17,19,27-30H,7-8,18,20-26,31H2,1-6H3,(H,51,56)(H,52,57);8-21H,6-7,22H2,1-5H3,(H,41,44)(H,42,45);5-18H,3-4,19H2,1-2H3,(H,37,40)(H,38,41)(H,42,43);5-14H,3-4,15,28H2,1-2H3,(H,30,32)
InChIKeyYWHNWGMPWYMWNE-UHFFFAOYSA-N
MW2543.77 g/mol
LogP27.02
Rot. Bonds49

About 2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid

2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid (PubChem CID 162033201) has the molecular formula C138H147F12N17O17 and a molecular weight of 2543.77 g/mol. Its IUPAC name is 2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid
PubChem CID162033201
Molecular FormulaC138H147F12N17O17
Molecular Weight2543.77 g/mol
Exact Mass2542.10
IUPAC Name2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid
SMILESCCN(CC)c1ccc(N)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCOCCOCCOCCC(=O)OC(C)(C)C)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)O)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1
InChIInChI=1S/C46H56F3N5O8.C36H37F3N4O4.C32H29F3N4O4.C24H25F3N4O/c1-7-54(8-2)37-15-16-39(38(30-37)40-29-34(17-19-50-40)42(56)51-31-32-11-9-14-36(27-32)46(47,48)49)52-43(57)33-12-10-13-35(28-33)44(58)53(6)20-22-60-24-26-61-25-23-59-21-18-41(55)62-45(3,4)5;1-6-43(7-2)28-14-15-30(42-33(45)24-11-9-12-26(19-24)34(46)47-35(3,4)5)29(21-28)31-20-25(16-17-40-31)32(44)41-22-23-10-8-13-27(18-23)36(37,38)39;1-3-39(4-2)25-11-12-27(38-30(41)21-8-6-9-23(16-21)31(42)43)26(18-25)28-17-22(13-14-36-28)29(40)37-19-20-7-5-10-24(15-20)32(33,34)35;1-3-31(4-2)19-8-9-21(28)20(14-19)22-13-17(10-11-29-22)23(32)30-15-16-6-5-7-18(12-16)24(25,26)27/h9-17,19,27-30H,7-8,18,20-26,31H2,1-6H3,(H,51,56)(H,52,57);8-21H,6-7,22H2,1-5H3,(H,41,44)(H,42,45);5-18H,3-4,19H2,1-2H3,(H,37,40)(H,38,41)(H,42,43);5-14H,3-4,15,28H2,1-2H3,(H,30,32)
InChIKeyYWHNWGMPWYMWNE-UHFFFAOYSA-N
XLogP27.02
TPSA432.14 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds49
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002543.77
LogP ≤ 527.02
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid with MolForge

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Related Compounds

1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)amino]ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 87061130
2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 87060930
tert-butyl (2S)-1-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethyl]pyrrolidine-2-carboxylate
CID 86705978
3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]anilino]methyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 123282099
2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-(3-oxo-3-piperazin-1-ylpropoxy)ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66587703
1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 123772078
3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propanoic acid;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[4-(3-methylphenyl)-4-oxobutoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 161440060
3-[4-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethylsulfamoyl]phenyl]propanoic acid
CID 87061096
3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrimidin-2-yl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 118246838
2-[5-chloro-2-[(3-ethylbenzoyl)amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 126561129
2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[2-[[4-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-oxopiperazine-1-carbonyl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 86705996
tert-butyl 3-[[4-(diethylamino)-2-[4-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-2-pyridinyl]phenyl]carbamoyl]benzoate
CID 66586888

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid (CID 162033201) is 2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid is CCN(CC)c1ccc(N)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCOCCOCCOCCC(=O)OC(C)(C)C)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)O)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.
What is the InChIKey of 2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid?
The InChIKey is YWHNWGMPWYMWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H56F3N5O8.C36H37F3N4O4.C32H29F3N4O4.C24H25F3N4O/c1-7-54(8-2)37-15-16-39(38(30-37)40-29-34(17-19-50-40)42(56)51-31-32-11-9-14-36(27-32)46(47,48)49)52-43(57)33-12-10-13-35(28-33)44(58)53(6)20-22-60-24-26-61-25-23-59-21-18-41(55)62-45(3,4)5;1-6-43(7-2)28-14-15-30(42-33(45)24-11-9-12-26(19-24)34(46)47-35(3,4)5)29(21-28)31-20-25(16-17-40-31)32(44)41-22-23-10-8-13-27(18-23)36(37,38)39;1-3-39(4-2)25-11-12-27(38-30(41)21-8-6-9-23(16-21)31(42)43)26(18-25)28-17-22(13-14-36-28)29(40)37-19-20-7-5-10-24(15-20)32(33,34)35;1-3-31(4-2)19-8-9-21(28)20(14-19)22-13-17(10-11-29-22)23(32)30-15-16-6-5-7-18(12-16)24(25,26)27/h9-17,19,27-30H,7-8,18,20-26,31H2,1-6H3,(H,51,56)(H,52,57);8-21H,6-7,22H2,1-5H3,(H,41,44)(H,42,45);5-18H,3-4,19H2,1-2H3,(H,37,40)(H,38,41)(H,42,43);5-14H,3-4,15,28H2,1-2H3,(H,30,32).
What are the key properties of 2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid?
2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid has a molecular weight of 2543.77 g/mol, XLogP of 27.02, 49 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;tert-butyl 3-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 162033201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).