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

C39H43N7O8 — CID 139371164

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
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)CC(=O)NCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C39H43N7O8/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/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)
InChIKeyDYSOJOUMMOEXQD-UHFFFAOYSA-N
MW737.81 g/mol
LogP2.85
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

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 (PubChem CID 139371164) has the molecular formula C39H43N7O8 and a molecular weight of 737.81 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.

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
PubChem CID139371164
Molecular FormulaC39H43N7O8
Molecular Weight737.81 g/mol
Exact Mass737.32
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
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)CC(=O)NCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C39H43N7O8/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/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)
InChIKeyDYSOJOUMMOEXQD-UHFFFAOYSA-N
XLogP2.85
TPSA181.27 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.81
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'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?
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 (CID 139371164) 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.
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?
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 is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)CC(=O)NCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
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?
The InChIKey is DYSOJOUMMOEXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43N7O8/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/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).
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?
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 has a molecular weight of 737.81 g/mol, XLogP of 2.85, 15 rotatable bonds, 3 hydrogen bond donors, and 12 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 is sourced from PubChem (CID 139371164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).