N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride

C317H370Cl4N42O50S2 — CID 158310555

IUPACN-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride
SMILESCCCn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(CCC)c(=O)c2OCc2ccccc2)CC(Cc2ccc(N)cc2)CN(CCNC(=O)c2ccn(CCOCc3ccccc3)c(=O)c2OCc2ccccc2)CCNC(=O)c2ccn(CCOCc3ccccc3)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O.CCCn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(CCC)c(=O)c2OCc2ccccc2)CC(Cc2ccc([N+](=O)[O-])cc2)CN(CCNC(=O)c2ccn(CCOCc3ccccc3)c(=O)c2OCc2ccccc2)CCNC(=O)c2ccn(CCOCc3ccccc3)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O.CCOC(=O)c1ccn(CCOCc2ccccc2)c(=O)c1C.Cc1c(C(=O)N2CCSC2=S)ccn(CCOCc2ccccc2)c1=O.Cc1c(C(=O)O)ccn(CCOCc2ccccc2)c1=O.Cc1nc(Cl)cn(CCOCc2ccccc2)c1=O.N#CCNCCOCc1ccccc1.N#CC[NH2+]CCOCc1ccccc1.NCCN(CCN)CC(Cc1ccc([N+](=O)[O-])cc1)CN(CCN)CCN.NCCOCc1ccccc1.O=c1c(Cl)nc(Cl)cn1CCOCc1ccccc1.[Cl-]
InChIInChI=1S/C94H103N11O16.C94H105N11O14.C19H20N2O3S2.C18H35N7O2.C18H21NO4.C16H17NO4.C14H15ClN2O2.C13H12Cl2N2O2.2C11H14N2O.C9H13NO.ClH/c1-3-47-101-49-39-79(83(91(101)110)118-66-73-27-15-7-16-28-73)87(106)95-43-53-99(54-44-96-88(107)80-40-50-102(48-4-2)92(111)84(80)119-67-74-29-17-8-18-30-74)62-77(61-70-35-37-78(38-36-70)105(114)115)63-100(55-45-97-89(108)81-41-51-103(57-59-116-64-71-23-11-5-12-24-71)93(112)85(81)120-68-75-31-19-9-20-32-75)56-46-98-90(109)82-42-52-104(58-60-117-65-72-25-13-6-14-26-72)94(113)86(82)121-69-76-33-21-10-22-34-76;1-3-47-102-49-39-79(83(91(102)110)116-66-73-27-15-7-16-28-73)87(106)96-43-53-100(54-44-97-88(107)80-40-50-103(48-4-2)92(111)84(80)117-67-74-29-17-8-18-30-74)62-77(61-70-35-37-78(95)38-36-70)63-101(55-45-98-89(108)81-41-51-104(57-59-114-64-71-23-11-5-12-24-71)93(112)85(81)118-68-75-31-19-9-20-32-75)56-46-99-90(109)82-42-52-105(58-60-115-65-72-25-13-6-14-26-72)94(113)86(82)119-69-76-33-21-10-22-34-76;1-14-16(18(23)21-10-12-26-19(21)25)7-8-20(17(14)22)9-11-24-13-15-5-3-2-4-6-15;19-5-9-23(10-6-20)14-17(15-24(11-7-21)12-8-22)13-16-1-3-18(4-2-16)25(26)27;1-3-23-18(21)16-9-10-19(17(20)14(16)2)11-12-22-13-15-7-5-4-6-8-15;1-12-14(16(19)20)7-8-17(15(12)18)9-10-21-11-13-5-3-2-4-6-13;1-11-14(18)17(9-13(15)16-11)7-8-19-10-12-5-3-2-4-6-12;14-11-8-17(13(18)12(15)16-11)6-7-19-9-10-4-2-1-3-5-10;2*12-6-7-13-8-9-14-10-11-4-2-1-3-5-11;10-6-7-11-8-9-4-2-1-3-5-9;/h5-42,49-52,77H,3-4,43-48,53-69H2,1-2H3,(H,95,106)(H,96,107)(H,97,108)(H,98,109);5-42,49-52,77H,3-4,43-48,53-69,95H2,1-2H3,(H,96,106)(H,97,107)(H,98,108)(H,99,109);2-8H,9-13H2,1H3;1-4,17H,5-15,19-22H2;4-10H,3,11-13H2,1-2H3;2-8H,9-11H2,1H3,(H,19,20);2-6,9H,7-8,10H2,1H3;1-5,8H,6-7,9H2;2*1-5,13H,7-10H2;1-5H,6-8,10H2;1H
InChIKeyYNUXGFSBNJHQKL-UHFFFAOYSA-N
MW5774.64 g/mol
LogP33.88
Rot. Bonds157

About N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride

N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride (PubChem CID 158310555) has the molecular formula C317H370Cl4N42O50S2 and a molecular weight of 5774.64 g/mol. Its IUPAC name is N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride.

Molecular Properties

Compound NameN-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride
PubChem CID158310555
Molecular FormulaC317H370Cl4N42O50S2
Molecular Weight5774.64 g/mol
Exact Mass5768.59
IUPAC NameN-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride
SMILESCCCn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(CCC)c(=O)c2OCc2ccccc2)CC(Cc2ccc(N)cc2)CN(CCNC(=O)c2ccn(CCOCc3ccccc3)c(=O)c2OCc2ccccc2)CCNC(=O)c2ccn(CCOCc3ccccc3)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O.CCCn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(CCC)c(=O)c2OCc2ccccc2)CC(Cc2ccc([N+](=O)[O-])cc2)CN(CCNC(=O)c2ccn(CCOCc3ccccc3)c(=O)c2OCc2ccccc2)CCNC(=O)c2ccn(CCOCc3ccccc3)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O.CCOC(=O)c1ccn(CCOCc2ccccc2)c(=O)c1C.Cc1c(C(=O)N2CCSC2=S)ccn(CCOCc2ccccc2)c1=O.Cc1c(C(=O)O)ccn(CCOCc2ccccc2)c1=O.Cc1nc(Cl)cn(CCOCc2ccccc2)c1=O.N#CCNCCOCc1ccccc1.N#CC[NH2+]CCOCc1ccccc1.NCCN(CCN)CC(Cc1ccc([N+](=O)[O-])cc1)CN(CCN)CCN.NCCOCc1ccccc1.O=c1c(Cl)nc(Cl)cn1CCOCc1ccccc1.[Cl-]
InChIInChI=1S/C94H103N11O16.C94H105N11O14.C19H20N2O3S2.C18H35N7O2.C18H21NO4.C16H17NO4.C14H15ClN2O2.C13H12Cl2N2O2.2C11H14N2O.C9H13NO.ClH/c1-3-47-101-49-39-79(83(91(101)110)118-66-73-27-15-7-16-28-73)87(106)95-43-53-99(54-44-96-88(107)80-40-50-102(48-4-2)92(111)84(80)119-67-74-29-17-8-18-30-74)62-77(61-70-35-37-78(38-36-70)105(114)115)63-100(55-45-97-89(108)81-41-51-103(57-59-116-64-71-23-11-5-12-24-71)93(112)85(81)120-68-75-31-19-9-20-32-75)56-46-98-90(109)82-42-52-104(58-60-117-65-72-25-13-6-14-26-72)94(113)86(82)121-69-76-33-21-10-22-34-76;1-3-47-102-49-39-79(83(91(102)110)116-66-73-27-15-7-16-28-73)87(106)96-43-53-100(54-44-97-88(107)80-40-50-103(48-4-2)92(111)84(80)117-67-74-29-17-8-18-30-74)62-77(61-70-35-37-78(95)38-36-70)63-101(55-45-98-89(108)81-41-51-104(57-59-114-64-71-23-11-5-12-24-71)93(112)85(81)118-68-75-31-19-9-20-32-75)56-46-99-90(109)82-42-52-105(58-60-115-65-72-25-13-6-14-26-72)94(113)86(82)119-69-76-33-21-10-22-34-76;1-14-16(18(23)21-10-12-26-19(21)25)7-8-20(17(14)22)9-11-24-13-15-5-3-2-4-6-15;19-5-9-23(10-6-20)14-17(15-24(11-7-21)12-8-22)13-16-1-3-18(4-2-16)25(26)27;1-3-23-18(21)16-9-10-19(17(20)14(16)2)11-12-22-13-15-7-5-4-6-8-15;1-12-14(16(19)20)7-8-17(15(12)18)9-10-21-11-13-5-3-2-4-6-13;1-11-14(18)17(9-13(15)16-11)7-8-19-10-12-5-3-2-4-6-12;14-11-8-17(13(18)12(15)16-11)6-7-19-9-10-4-2-1-3-5-10;2*12-6-7-13-8-9-14-10-11-4-2-1-3-5-11;10-6-7-11-8-9-4-2-1-3-5-9;/h5-42,49-52,77H,3-4,43-48,53-69H2,1-2H3,(H,95,106)(H,96,107)(H,97,108)(H,98,109);5-42,49-52,77H,3-4,43-48,53-69,95H2,1-2H3,(H,96,106)(H,97,107)(H,98,108)(H,99,109);2-8H,9-13H2,1H3;1-4,17H,5-15,19-22H2;4-10H,3,11-13H2,1-2H3;2-8H,9-11H2,1H3,(H,19,20);2-6,9H,7-8,10H2,1H3;1-5,8H,6-7,9H2;2*1-5,13H,7-10H2;1-5H,6-8,10H2;1H
InChIKeyYNUXGFSBNJHQKL-UHFFFAOYSA-N
XLogP33.88
TPSA1151.15 Ų
H-Bond Donors17
H-Bond Acceptors81
Rotatable Bonds157
Heavy Atoms415
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005774.64
LogP ≤ 533.88
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1081

Analyze N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride with MolForge

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Related Compounds

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CID 99818504
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CID 129302782
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CID 12607993
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CID 160907290
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ethane;ethyl 2-chloro-5,6-dimethyl-4-phenylmethoxypyridine-3-carboxylate
CID 169250389
ethyl 1-(4-nitrophenyl)-4-[(3-nitrophenyl)methoxy]pyrazole-3-carboxylate
CID 55753619
benzyl 3-[[(2S)-3-(4-aminophenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-azabicyclo[2.2.2]octane-2-carboxylate;benzyl carbonochloridate;2-O-benzyl 3-O-ethyl 2-azabicyclo[2.2.2]octane-2,3-dicarboxylate;benzyl 3-[[(2S)-1-methoxy-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamoyl]-2-azabicyclo[2.2.2]octane-2-carboxylate;ethyl 2-azabicyclo[2.2.2]octane-3-carboxylate;methanol;methyl (2S)-2-amino-3-(4-nitrophenyl)propanoate;2-phenylmethoxycarbonyl-2-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 159391868
benzyl N-[1-[(4-methyl-1,3-thiazol-2-yl)amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamate
CID 44724372

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride?
The IUPAC name of N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride (CID 158310555) is N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride.
What is the SMILES notation for N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride?
The canonical SMILES for N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride is CCCn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(CCC)c(=O)c2OCc2ccccc2)CC(Cc2ccc(N)cc2)CN(CCNC(=O)c2ccn(CCOCc3ccccc3)c(=O)c2OCc2ccccc2)CCNC(=O)c2ccn(CCOCc3ccccc3)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O.CCCn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(CCC)c(=O)c2OCc2ccccc2)CC(Cc2ccc([N+](=O)[O-])cc2)CN(CCNC(=O)c2ccn(CCOCc3ccccc3)c(=O)c2OCc2ccccc2)CCNC(=O)c2ccn(CCOCc3ccccc3)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O.CCOC(=O)c1ccn(CCOCc2ccccc2)c(=O)c1C.Cc1c(C(=O)N2CCSC2=S)ccn(CCOCc2ccccc2)c1=O.Cc1c(C(=O)O)ccn(CCOCc2ccccc2)c1=O.Cc1nc(Cl)cn(CCOCc2ccccc2)c1=O.N#CCNCCOCc1ccccc1.N#CC[NH2+]CCOCc1ccccc1.NCCN(CCN)CC(Cc1ccc([N+](=O)[O-])cc1)CN(CCN)CCN.NCCOCc1ccccc1.O=c1c(Cl)nc(Cl)cn1CCOCc1ccccc1.[Cl-].
What is the InChIKey of N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride?
The InChIKey is YNUXGFSBNJHQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H103N11O16.C94H105N11O14.C19H20N2O3S2.C18H35N7O2.C18H21NO4.C16H17NO4.C14H15ClN2O2.C13H12Cl2N2O2.2C11H14N2O.C9H13NO.ClH/c1-3-47-101-49-39-79(83(91(101)110)118-66-73-27-15-7-16-28-73)87(106)95-43-53-99(54-44-96-88(107)80-40-50-102(48-4-2)92(111)84(80)119-67-74-29-17-8-18-30-74)62-77(61-70-35-37-78(38-36-70)105(114)115)63-100(55-45-97-89(108)81-41-51-103(57-59-116-64-71-23-11-5-12-24-71)93(112)85(81)120-68-75-31-19-9-20-32-75)56-46-98-90(109)82-42-52-104(58-60-117-65-72-25-13-6-14-26-72)94(113)86(82)121-69-76-33-21-10-22-34-76;1-3-47-102-49-39-79(83(91(102)110)116-66-73-27-15-7-16-28-73)87(106)96-43-53-100(54-44-97-88(107)80-40-50-103(48-4-2)92(111)84(80)117-67-74-29-17-8-18-30-74)62-77(61-70-35-37-78(95)38-36-70)63-101(55-45-98-89(108)81-41-51-104(57-59-114-64-71-23-11-5-12-24-71)93(112)85(81)118-68-75-31-19-9-20-32-75)56-46-99-90(109)82-42-52-105(58-60-115-65-72-25-13-6-14-26-72)94(113)86(82)119-69-76-33-21-10-22-34-76;1-14-16(18(23)21-10-12-26-19(21)25)7-8-20(17(14)22)9-11-24-13-15-5-3-2-4-6-15;19-5-9-23(10-6-20)14-17(15-24(11-7-21)12-8-22)13-16-1-3-18(4-2-16)25(26)27;1-3-23-18(21)16-9-10-19(17(20)14(16)2)11-12-22-13-15-7-5-4-6-8-15;1-12-14(16(19)20)7-8-17(15(12)18)9-10-21-11-13-5-3-2-4-6-13;1-11-14(18)17(9-13(15)16-11)7-8-19-10-12-5-3-2-4-6-12;14-11-8-17(13(18)12(15)16-11)6-7-19-9-10-4-2-1-3-5-10;2*12-6-7-13-8-9-14-10-11-4-2-1-3-5-11;10-6-7-11-8-9-4-2-1-3-5-9;/h5-42,49-52,77H,3-4,43-48,53-69H2,1-2H3,(H,95,106)(H,96,107)(H,97,108)(H,98,109);5-42,49-52,77H,3-4,43-48,53-69,95H2,1-2H3,(H,96,106)(H,97,107)(H,98,108)(H,99,109);2-8H,9-13H2,1H3;1-4,17H,5-15,19-22H2;4-10H,3,11-13H2,1-2H3;2-8H,9-11H2,1H3,(H,19,20);2-6,9H,7-8,10H2,1H3;1-5,8H,6-7,9H2;2*1-5,13H,7-10H2;1-5H,6-8,10H2;1H.
What are the key properties of N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride?
N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride has a molecular weight of 5774.64 g/mol, XLogP of 33.88, 157 rotatable bonds, 17 hydrogen bond donors, and 81 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;N-[2-[[2-[[bis[2-[[2-oxo-3-phenylmethoxy-1-(2-phenylmethoxyethyl)pyridine-4-carbonyl]amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(2-oxo-3-phenylmethoxy-1-propylpyridine-4-carbonyl)amino]ethyl]amino]ethyl]-2-oxo-3-phenylmethoxy-1-propylpyridine-4-carboxamide;5-chloro-3-methyl-1-(2-phenylmethoxyethyl)pyrazin-2-one;cyanomethyl(2-phenylmethoxyethyl)azanium;3,5-dichloro-1-(2-phenylmethoxyethyl)pyrazin-2-one;ethyl 3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylate;3-methyl-2-oxo-1-(2-phenylmethoxyethyl)pyridine-4-carboxylic acid;3-methyl-1-(2-phenylmethoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one;2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile;N,N,N',N'-tetrakis(2-aminoethyl)-2-[(4-nitrophenyl)methyl]propane-1,3-diamine;chloride is sourced from PubChem (CID 158310555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).