2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid

C40H45N7O10 — CID 139371163

IUPAC2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)CC(=O)NCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=CO
InChIInChI=1S/C39H43N7O8.CH2O2/c1-44(20-28-31(53-3)17-23(18-32(28)54-4)27-21-45(2)37(50)26-19-40-16-13-24(26)27)22-34(48)42-15-7-5-6-14-41-29-10-8-9-25-35(29)39(52)46(38(25)51)30-11-12-33(47)43-36(30)49;2-1-3/h8-10,13,16-19,21,30,41H,5-7,11-12,14-15,20,22H2,1-4H3,(H,42,48)(H,43,47,49);1H,(H,2,3)
InChIKeyWPCISZUBQGBBSG-UHFFFAOYSA-N
MW783.84 g/mol
LogP2.55
Rot. Bonds15

About 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid

2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid (PubChem CID 139371163) has the molecular formula C40H45N7O10 and a molecular weight of 783.84 g/mol. Its IUPAC name is 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid.

Molecular Properties

Compound Name2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid
PubChem CID139371163
Molecular FormulaC40H45N7O10
Molecular Weight783.84 g/mol
Exact Mass783.32
IUPAC Name2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)CC(=O)NCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=CO
InChIInChI=1S/C39H43N7O8.CH2O2/c1-44(20-28-31(53-3)17-23(18-32(28)54-4)27-21-45(2)37(50)26-19-40-16-13-24(26)27)22-34(48)42-15-7-5-6-14-41-29-10-8-9-25-35(29)39(52)46(38(25)51)30-11-12-33(47)43-36(30)49;2-1-3/h8-10,13,16-19,21,30,41H,5-7,11-12,14-15,20,22H2,1-4H3,(H,42,48)(H,43,47,49);1H,(H,2,3)
InChIKeyWPCISZUBQGBBSG-UHFFFAOYSA-N
XLogP2.55
TPSA218.57 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.84
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid?
The IUPAC name of 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid (CID 139371163) is 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid.
What is the SMILES notation for 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid?
The canonical SMILES for 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)CC(=O)NCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=CO.
What is the InChIKey of 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid?
The InChIKey is WPCISZUBQGBBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43N7O8.CH2O2/c1-44(20-28-31(53-3)17-23(18-32(28)54-4)27-21-45(2)37(50)26-19-40-16-13-24(26)27)22-34(48)42-15-7-5-6-14-41-29-10-8-9-25-35(29)39(52)46(38(25)51)30-11-12-33(47)43-36(30)49;2-1-3/h8-10,13,16-19,21,30,41H,5-7,11-12,14-15,20,22H2,1-4H3,(H,42,48)(H,43,47,49);1H,(H,2,3).
What are the key properties of 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid?
2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid has a molecular weight of 783.84 g/mol, XLogP of 2.55, 15 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide;formic acid is sourced from PubChem (CID 139371163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).