5-[[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,6-diiodoanilino]-2,3-dihydroxybutyl]-formylamino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

C101H124I17N17O42 — CID 158691633

About 5-[[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,6-diiodoanilino]-2,3-dihydroxybutyl]-formylamino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

5-[[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,6-diiodoanilino]-2,3-dihydroxybutyl]-formylamino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide (PubChem CID 158691633) has the molecular formula C101H124I17N17O42 and a molecular weight of 4405.55 g/mol. Its IUPAC name is 5-[[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,6-diiodoanilino]-2,3-dihydroxybutyl]-formylamino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 5-[[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,6-diiodoanilino]-2,3-dihydroxybutyl]-formylamino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
• PubChem CID: 158691633
• Molecular Formula: C101H124I17N17O42
• Molecular Weight: 4405.55 g/mol
• Exact Mass: 4404.19
• IUPAC Name: 5-[[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,6-diiodoanilino]-2,3-dihydroxybutyl]-formylamino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
• SMILES: CN(CC(O)CO)C(=O)c1c(I)c(C(=O)N(C)CC(O)CO)c(I)c(N(C=O)CC(O)CN(C=O)c2c(I)c(C(=O)N(C)CC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I.O=CN(CC(O)C(O)CN(C=O)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)CCC(O)CO)cc(C(=O)NCCO)c1I.O=CN(CC(O)CN(C=O)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I
• InChI: InChI=1S/C37H48I6N6O15.C33H40I5N5O14.C31H36I6N6O13/c1-44(5-18(57)11-50)34(61)22-26(38)23(35(62)45(2)6-19(58)12-51)29(41)32(28(22)40)48(15-54)9-17(56)10-49(16-55)33-30(42)24(36(63)46(3)7-20(59)13-52)27(39)25(31(33)43)37(64)47(4)8-21(60)14-53;34-24-17(19(52)2-1-15(50)11-46)7-18(31(55)39-3-5-44)25(35)29(24)42(13-48)9-20(53)21(54)10-43(14-49)30-27(37)22(32(56)40-4-6-45)26(36)23(28(30)38)33(57)41-8-16(51)12-47;32-20-16(28(53)38-1-3-44)22(34)26(24(36)18(20)30(55)40-5-13(50)9-46)42(11-48)7-15(52)8-43(12-49)27-23(35)17(29(54)39-2-4-45)21(33)19(25(27)37)31(56)41-6-14(51)10-47/h15-21,50-53,56-60H,5-14H2,1-4H3;7,13-16,20-21,44-47,50-51,53-54H,1-6,8-12H2,(H,39,55)(H,40,56)(H,41,57);11-15,44-47,50-52H,1-10H2,(H,38,53)(H,39,54)(H,40,55)(H,41,56)
• InChIKey: IGKOCIFMNCHLFE-UHFFFAOYSA-N
• XLogP: -3.19
• TPSA: 909.39 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 42
• Rotatable Bonds: 70
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4405.55
LogP ≤ 5	-3.19
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,6-diiodoanilino]-2,3-dihydroxybutyl]-formylamino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide?

The IUPAC name of 5-[[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,6-diiodoanilino]-2,3-dihydroxybutyl]-formylamino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide (CID 158691633) is 5-[[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,6-diiodoanilino]-2,3-dihydroxybutyl]-formylamino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide.

What is the SMILES notation for 5-[[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,6-diiodoanilino]-2,3-dihydroxybutyl]-formylamino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide?

The canonical SMILES for 5-[[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,6-diiodoanilino]-2,3-dihydroxybutyl]-formylamino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide is CN(CC(O)CO)C(=O)c1c(I)c(C(=O)N(C)CC(O)CO)c(I)c(N(C=O)CC(O)CN(C=O)c2c(I)c(C(=O)N(C)CC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I.O=CN(CC(O)C(O)CN(C=O)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)CCC(O)CO)cc(C(=O)NCCO)c1I.O=CN(CC(O)CN(C=O)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I.

What is the InChIKey of 5-[[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,6-diiodoanilino]-2,3-dihydroxybutyl]-formylamino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide?

The InChIKey is IGKOCIFMNCHLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48I6N6O15.C33H40I5N5O14.C31H36I6N6O13/c1-44(5-18(57)11-50)34(61)22-26(38)23(35(62)45(2)6-19(58)12-51)29(41)32(28(22)40)48(15-54)9-17(56)10-49(16-55)33-30(42)24(36(63)46(3)7-20(59)13-52)27(39)25(31(33)43)37(64)47(4)8-21(60)14-53;34-24-17(19(52)2-1-15(50)11-46)7-18(31(55)39-3-5-44)25(35)29(24)42(13-48)9-20(53)21(54)10-43(14-49)30-27(37)22(32(56)40-4-6-45)26(36)23(28(30)38)33(57)41-8-16(51)12-47;32-20-16(28(53)38-1-3-44)22(34)26(24(36)18(20)30(55)40-5-13(50)9-46)42(11-48)7-15(52)8-43(12-49)27-23(35)17(29(54)39-2-4-45)21(33)19(25(27)37)31(56)41-6-14(51)10-47/h15-21,50-53,56-60H,5-14H2,1-4H3;7,13-16,20-21,44-47,50-51,53-54H,1-6,8-12H2,(H,39,55)(H,40,56)(H,41,57);11-15,44-47,50-52H,1-10H2,(H,38,53)(H,39,54)(H,40,55)(H,41,56).

What are the key properties of 5-[[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,6-diiodoanilino]-2,3-dihydroxybutyl]-formylamino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide?

5-[[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,6-diiodoanilino]-2,3-dihydroxybutyl]-formylamino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide has a molecular weight of 4405.55 g/mol, XLogP of -3.19, 70 rotatable bonds, 31 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-N-formyl-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;5-[[4-[3-(4,5-dihydroxypentanoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,6-diiodoanilino]-2,3-dihydroxybutyl]-formylamino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide is sourced from PubChem (CID 158691633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).