N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide

C194H217N33O38 — CID 157460255

IUPACN-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2O)CC(Cc2ccc(N)cc2)CN(CCNC(=O)c2ccn(C)c(=O)c2O)CCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O.Cn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)CC(Cc2ccc(N)cc2)CN(CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O.Cn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)CC(Cc2ccc([N+](=O)[O-])cc2)CN(CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O
InChIInChI=1S/C74H79N11O14.C74H81N11O12.C46H57N11O12/c1-79-37-29-59(63(71(79)90)96-48-53-17-9-5-10-18-53)67(86)75-33-41-83(42-34-76-68(87)60-30-38-80(2)72(91)64(60)97-49-54-19-11-6-12-20-54)46-57(45-52-25-27-58(28-26-52)85(94)95)47-84(43-35-77-69(88)61-31-39-81(3)73(92)65(61)98-50-55-21-13-7-14-22-55)44-36-78-70(89)62-32-40-82(4)74(93)66(62)99-51-56-23-15-8-16-24-56;1-80-37-29-59(63(71(80)90)94-48-53-17-9-5-10-18-53)67(86)76-33-41-84(42-34-77-68(87)60-30-38-81(2)72(91)64(60)95-49-54-19-11-6-12-20-54)46-57(45-52-25-27-58(75)28-26-52)47-85(43-35-78-69(88)61-31-39-82(3)73(92)65(61)96-50-55-21-13-7-14-22-55)44-36-79-70(89)62-32-40-83(4)74(93)66(62)97-51-56-23-15-8-16-24-56;1-52-17-9-31(35(58)43(52)66)39(62)48-13-21-56(22-14-49-40(63)32-10-18-53(2)44(67)36(32)59)26-29(25-28-5-7-30(47)8-6-28)27-57(23-15-50-41(64)33-11-19-54(3)45(68)37(33)60)24-16-51-42(65)34-12-20-55(4)46(69)38(34)61/h5-32,37-40,57H,33-36,41-51H2,1-4H3,(H,75,86)(H,76,87)(H,77,88)(H,78,89);5-32,37-40,57H,33-36,41-51,75H2,1-4H3,(H,76,86)(H,77,87)(H,78,88)(H,79,89);5-12,17-20,29,58-61H,13-16,21-27,47H2,1-4H3,(H,48,62)(H,49,63)(H,50,64)(H,51,65)
InChIKeyBTVKPZWSFWYNKL-UHFFFAOYSA-N
MW3619.06 g/mol
LogP10.42
Rot. Bonds91

About N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide

N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide (PubChem CID 157460255) has the molecular formula C194H217N33O38 and a molecular weight of 3619.06 g/mol. Its IUPAC name is N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide
PubChem CID157460255
Molecular FormulaC194H217N33O38
Molecular Weight3619.06 g/mol
Exact Mass3616.61
IUPAC NameN-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2O)CC(Cc2ccc(N)cc2)CN(CCNC(=O)c2ccn(C)c(=O)c2O)CCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O.Cn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)CC(Cc2ccc(N)cc2)CN(CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O.Cn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)CC(Cc2ccc([N+](=O)[O-])cc2)CN(CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O
InChIInChI=1S/C74H79N11O14.C74H81N11O12.C46H57N11O12/c1-79-37-29-59(63(71(79)90)96-48-53-17-9-5-10-18-53)67(86)75-33-41-83(42-34-76-68(87)60-30-38-80(2)72(91)64(60)97-49-54-19-11-6-12-20-54)46-57(45-52-25-27-58(28-26-52)85(94)95)47-84(43-35-77-69(88)61-31-39-81(3)73(92)65(61)98-50-55-21-13-7-14-22-55)44-36-78-70(89)62-32-40-82(4)74(93)66(62)99-51-56-23-15-8-16-24-56;1-80-37-29-59(63(71(80)90)94-48-53-17-9-5-10-18-53)67(86)76-33-41-84(42-34-77-68(87)60-30-38-81(2)72(91)64(60)95-49-54-19-11-6-12-20-54)46-57(45-52-25-27-58(75)28-26-52)47-85(43-35-78-69(88)61-31-39-82(3)73(92)65(61)96-50-55-21-13-7-14-22-55)44-36-79-70(89)62-32-40-83(4)74(93)66(62)97-51-56-23-15-8-16-24-56;1-52-17-9-31(35(58)43(52)66)39(62)48-13-21-56(22-14-49-40(63)32-10-18-53(2)44(67)36(32)59)26-29(25-28-5-7-30(47)8-6-28)27-57(23-15-50-41(64)33-11-19-54(3)45(68)37(33)60)24-16-51-42(65)34-12-20-55(4)46(69)38(34)61/h5-32,37-40,57H,33-36,41-51H2,1-4H3,(H,75,86)(H,76,87)(H,77,88)(H,78,89);5-32,37-40,57H,33-36,41-51,75H2,1-4H3,(H,76,86)(H,77,87)(H,78,88)(H,79,89);5-12,17-20,29,58-61H,13-16,21-27,47H2,1-4H3,(H,48,62)(H,49,63)(H,50,64)(H,51,65)
InChIKeyBTVKPZWSFWYNKL-UHFFFAOYSA-N
XLogP10.42
TPSA882.58 Ų
H-Bond Donors18
H-Bond Acceptors58
Rotatable Bonds91
Heavy Atoms265
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003619.06
LogP ≤ 510.42
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide?
The IUPAC name of N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide (CID 157460255) is N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide?
The canonical SMILES for N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide is Cn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2O)CC(Cc2ccc(N)cc2)CN(CCNC(=O)c2ccn(C)c(=O)c2O)CCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O.Cn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)CC(Cc2ccc(N)cc2)CN(CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O.Cn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)CC(Cc2ccc([N+](=O)[O-])cc2)CN(CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)CCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O.
What is the InChIKey of N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide?
The InChIKey is BTVKPZWSFWYNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H79N11O14.C74H81N11O12.C46H57N11O12/c1-79-37-29-59(63(71(79)90)96-48-53-17-9-5-10-18-53)67(86)75-33-41-83(42-34-76-68(87)60-30-38-80(2)72(91)64(60)97-49-54-19-11-6-12-20-54)46-57(45-52-25-27-58(28-26-52)85(94)95)47-84(43-35-77-69(88)61-31-39-81(3)73(92)65(61)98-50-55-21-13-7-14-22-55)44-36-78-70(89)62-32-40-82(4)74(93)66(62)99-51-56-23-15-8-16-24-56;1-80-37-29-59(63(71(80)90)94-48-53-17-9-5-10-18-53)67(86)76-33-41-84(42-34-77-68(87)60-30-38-81(2)72(91)64(60)95-49-54-19-11-6-12-20-54)46-57(45-52-25-27-58(75)28-26-52)47-85(43-35-78-69(88)61-31-39-82(3)73(92)65(61)96-50-55-21-13-7-14-22-55)44-36-79-70(89)62-32-40-83(4)74(93)66(62)97-51-56-23-15-8-16-24-56;1-52-17-9-31(35(58)43(52)66)39(62)48-13-21-56(22-14-49-40(63)32-10-18-53(2)44(67)36(32)59)26-29(25-28-5-7-30(47)8-6-28)27-57(23-15-50-41(64)33-11-19-54(3)45(68)37(33)60)24-16-51-42(65)34-12-20-55(4)46(69)38(34)61/h5-32,37-40,57H,33-36,41-51H2,1-4H3,(H,75,86)(H,76,87)(H,77,88)(H,78,89);5-32,37-40,57H,33-36,41-51,75H2,1-4H3,(H,76,86)(H,77,87)(H,78,88)(H,79,89);5-12,17-20,29,58-61H,13-16,21-27,47H2,1-4H3,(H,48,62)(H,49,63)(H,50,64)(H,51,65).
What are the key properties of N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide?
N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide has a molecular weight of 3619.06 g/mol, XLogP of 10.42, 91 rotatable bonds, 18 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;N-[2-[[2-[(4-aminophenyl)methyl]-3-[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide;N-[2-[[2-[[bis[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]methyl]-3-(4-nitrophenyl)propyl]-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide is sourced from PubChem (CID 157460255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).