3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine

C136H163N28O26S6-3 — CID 161238463

IUPAC3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine
SMILESCCn1c(O)c(/N=N/c2ccc(-c3ccc(/N=N/c4c(C)cc(=O)n(CC)c4O)cc3S(=O)(=O)NC(C)CCc3ccccc3)c(N(C(C)CCc3ccccc3)S(=O)[O-])c2)c(C)cc1=O.[C-]#[N+]c1c(C)c(/N=N/c2ccc(-c3ccc(/N=N/c4c(C)c(C#N)c(O)n(CC)c4=O)cc3N(C(C)CCCC(C)C)S(=O)[O-])c(S(=O)(=O)NC(C)CCCC(C)C)c2)c(=O)n(CC)c1O.[C-]#[N+]c1c(C)c(/N=N/c2ccc(-c3ccc(/N=N/c4c(C)c(C#N)c(O)n(CC)c4=O)cc3N(CCCOC(C)C)S(=O)[O-])c(S(=O)(=O)NCCCOC(C)C)c2)c(=O)n(CC)c1O
InChIInChI=1S/C48H54N8O8S2.C46H60N10O8S2.C42H52N10O10S2/c1-7-54-43(57)27-31(3)45(47(54)59)51-49-37-23-25-39(41(29-37)56(65(61)62)34(6)20-22-36-17-13-10-14-18-36)40-26-24-38(50-52-46-32(4)28-44(58)55(8-2)48(46)60)30-42(40)66(63,64)53-33(5)19-21-35-15-11-9-12-16-35;1-12-54-43(57)37(26-47)31(9)41(45(54)59)51-49-33-20-22-35(38(24-33)56(65(61)62)30(8)19-15-17-28(5)6)36-23-21-34(25-39(36)66(63,64)53-29(7)18-14-16-27(3)4)50-52-42-32(10)40(48-11)44(58)55(13-2)46(42)60;1-10-50-39(53)33(24-43)27(7)37(41(50)55)48-46-29-14-16-31(34(22-29)52(63(57)58)19-13-21-62-26(5)6)32-17-15-30(23-35(32)64(59,60)45-18-12-20-61-25(3)4)47-49-38-28(8)36(44-9)40(54)51(11-2)42(38)56/h9-18,23-30,33-34,53,59-60H,7-8,19-22H2,1-6H3,(H,61,62);20-25,27-30,53,57-58H,12-19H2,1-10H3,(H,61,62);14-17,22-23,25-26,45,53-54H,10-13,18-21H2,1-8H3,(H,57,58)/p-3/b2*51-49+,52-50+;48-46+,49-47+
InChIKeyLVMTYFGQSCEFDO-NHGHQLCUSA-K
MW2798.37 g/mol
LogP27.31
Rot. Bonds61

About 3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine

3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine (PubChem CID 161238463) has the molecular formula C136H163N28O26S6-3 and a molecular weight of 2798.37 g/mol. Its IUPAC name is 3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine.

Molecular Properties

Compound Name3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine
PubChem CID161238463
Molecular FormulaC136H163N28O26S6-3
Molecular Weight2798.37 g/mol
Exact Mass2796.06
IUPAC Name3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine
SMILESCCn1c(O)c(/N=N/c2ccc(-c3ccc(/N=N/c4c(C)cc(=O)n(CC)c4O)cc3S(=O)(=O)NC(C)CCc3ccccc3)c(N(C(C)CCc3ccccc3)S(=O)[O-])c2)c(C)cc1=O.[C-]#[N+]c1c(C)c(/N=N/c2ccc(-c3ccc(/N=N/c4c(C)c(C#N)c(O)n(CC)c4=O)cc3N(C(C)CCCC(C)C)S(=O)[O-])c(S(=O)(=O)NC(C)CCCC(C)C)c2)c(=O)n(CC)c1O.[C-]#[N+]c1c(C)c(/N=N/c2ccc(-c3ccc(/N=N/c4c(C)c(C#N)c(O)n(CC)c4=O)cc3N(CCCOC(C)C)S(=O)[O-])c(S(=O)(=O)NCCCOC(C)C)c2)c(=O)n(CC)c1O
InChIInChI=1S/C48H54N8O8S2.C46H60N10O8S2.C42H52N10O10S2/c1-7-54-43(57)27-31(3)45(47(54)59)51-49-37-23-25-39(41(29-37)56(65(61)62)34(6)20-22-36-17-13-10-14-18-36)40-26-24-38(50-52-46-32(4)28-44(58)55(8-2)48(46)60)30-42(40)66(63,64)53-33(5)19-21-35-15-11-9-12-16-35;1-12-54-43(57)37(26-47)31(9)41(45(54)59)51-49-33-20-22-35(38(24-33)56(65(61)62)30(8)19-15-17-28(5)6)36-23-21-34(25-39(36)66(63,64)53-29(7)18-14-16-27(3)4)50-52-42-32(10)40(48-11)44(58)55(13-2)46(42)60;1-10-50-39(53)33(24-43)27(7)37(41(50)55)48-46-29-14-16-31(34(22-29)52(63(57)58)19-13-21-62-26(5)6)32-17-15-30(23-35(32)64(59,60)45-18-12-20-61-25(3)4)47-49-38-28(8)36(44-9)40(54)51(11-2)42(38)56/h9-18,23-30,33-34,53,59-60H,7-8,19-22H2,1-6H3,(H,61,62);20-25,27-30,53,57-58H,12-19H2,1-10H3,(H,61,62);14-17,22-23,25-26,45,53-54H,10-13,18-21H2,1-8H3,(H,57,58)/p-3/b2*51-49+,52-50+;48-46+,49-47+
InChIKeyLVMTYFGQSCEFDO-NHGHQLCUSA-K
XLogP27.31
TPSA745.08 Ų
H-Bond Donors9
H-Bond Acceptors46
Rotatable Bonds61
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002798.37
LogP ≤ 527.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine?
The IUPAC name of 3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine (CID 161238463) is 3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine.
What is the SMILES notation for 3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine?
The canonical SMILES for 3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine is CCn1c(O)c(/N=N/c2ccc(-c3ccc(/N=N/c4c(C)cc(=O)n(CC)c4O)cc3S(=O)(=O)NC(C)CCc3ccccc3)c(N(C(C)CCc3ccccc3)S(=O)[O-])c2)c(C)cc1=O.[C-]#[N+]c1c(C)c(/N=N/c2ccc(-c3ccc(/N=N/c4c(C)c(C#N)c(O)n(CC)c4=O)cc3N(C(C)CCCC(C)C)S(=O)[O-])c(S(=O)(=O)NC(C)CCCC(C)C)c2)c(=O)n(CC)c1O.[C-]#[N+]c1c(C)c(/N=N/c2ccc(-c3ccc(/N=N/c4c(C)c(C#N)c(O)n(CC)c4=O)cc3N(CCCOC(C)C)S(=O)[O-])c(S(=O)(=O)NCCCOC(C)C)c2)c(=O)n(CC)c1O.
What is the InChIKey of 3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine?
The InChIKey is LVMTYFGQSCEFDO-NHGHQLCUSA-K. The full InChI is InChI=1S/C48H54N8O8S2.C46H60N10O8S2.C42H52N10O10S2/c1-7-54-43(57)27-31(3)45(47(54)59)51-49-37-23-25-39(41(29-37)56(65(61)62)34(6)20-22-36-17-13-10-14-18-36)40-26-24-38(50-52-46-32(4)28-44(58)55(8-2)48(46)60)30-42(40)66(63,64)53-33(5)19-21-35-15-11-9-12-16-35;1-12-54-43(57)37(26-47)31(9)41(45(54)59)51-49-33-20-22-35(38(24-33)56(65(61)62)30(8)19-15-17-28(5)6)36-23-21-34(25-39(36)66(63,64)53-29(7)18-14-16-27(3)4)50-52-42-32(10)40(48-11)44(58)55(13-2)46(42)60;1-10-50-39(53)33(24-43)27(7)37(41(50)55)48-46-29-14-16-31(34(22-29)52(63(57)58)19-13-21-62-26(5)6)32-17-15-30(23-35(32)64(59,60)45-18-12-20-61-25(3)4)47-49-38-28(8)36(44-9)40(54)51(11-2)42(38)56/h9-18,23-30,33-34,53,59-60H,7-8,19-22H2,1-6H3,(H,61,62);20-25,27-30,53,57-58H,12-19H2,1-10H3,(H,61,62);14-17,22-23,25-26,45,53-54H,10-13,18-21H2,1-8H3,(H,57,58)/p-3/b2*51-49+,52-50+;48-46+,49-47+.
What are the key properties of 3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine?
3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine has a molecular weight of 2798.37 g/mol, XLogP of 27.31, 61 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine is sourced from PubChem (CID 161238463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).