5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide

C38H36N8O10 — CID 155091390

IUPAC5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide
SMILESCN1C(=O)CCC(N2C(=O)c3cccc(NCCOCCOCCOc4ccc(C(=O)Nc5ccc6oc(-c7ccc(=O)n(C)n7)nc6c5)nc4)c3C2=O)C1=O
InChIInChI=1S/C38H36N8O10/c1-44-31(47)13-10-29(37(44)51)46-36(50)24-4-3-5-25(33(24)38(46)52)39-14-15-53-16-17-54-18-19-55-23-7-8-26(40-21-23)34(49)41-22-6-11-30-28(20-22)42-35(56-30)27-9-12-32(48)45(2)43-27/h3-9,11-12,20-21,29,39H,10,13-19H2,1-2H3,(H,41,49)
InChIKeyZADZZHKGMZFZPQ-UHFFFAOYSA-N
MW764.75 g/mol
LogP2.50
Rot. Bonds15

About 5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide

5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide (PubChem CID 155091390) has the molecular formula C38H36N8O10 and a molecular weight of 764.75 g/mol. Its IUPAC name is 5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide
PubChem CID155091390
Molecular FormulaC38H36N8O10
Molecular Weight764.75 g/mol
Exact Mass764.26
IUPAC Name5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide
SMILESCN1C(=O)CCC(N2C(=O)c3cccc(NCCOCCOCCOc4ccc(C(=O)Nc5ccc6oc(-c7ccc(=O)n(C)n7)nc6c5)nc4)c3C2=O)C1=O
InChIInChI=1S/C38H36N8O10/c1-44-31(47)13-10-29(37(44)51)46-36(50)24-4-3-5-25(33(24)38(46)52)39-14-15-53-16-17-54-18-19-55-23-7-8-26(40-21-23)34(49)41-22-6-11-30-28(20-22)42-35(56-30)27-9-12-32(48)45(2)43-27/h3-9,11-12,20-21,29,39H,10,13-19H2,1-2H3,(H,41,49)
InChIKeyZADZZHKGMZFZPQ-UHFFFAOYSA-N
XLogP2.50
TPSA217.39 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.75
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide (CID 155091390) is 5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide is CN1C(=O)CCC(N2C(=O)c3cccc(NCCOCCOCCOc4ccc(C(=O)Nc5ccc6oc(-c7ccc(=O)n(C)n7)nc6c5)nc4)c3C2=O)C1=O.
What is the InChIKey of 5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide?
The InChIKey is ZADZZHKGMZFZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N8O10/c1-44-31(47)13-10-29(37(44)51)46-36(50)24-4-3-5-25(33(24)38(46)52)39-14-15-53-16-17-54-18-19-55-23-7-8-26(40-21-23)34(49)41-22-6-11-30-28(20-22)42-35(56-30)27-9-12-32(48)45(2)43-27/h3-9,11-12,20-21,29,39H,10,13-19H2,1-2H3,(H,41,49).
What are the key properties of 5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide?
5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide has a molecular weight of 764.75 g/mol, XLogP of 2.50, 15 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]-N-[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155091390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).