N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide

C37H37N5O9 — CID 139371673

IUPACN-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C(=O)CCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C37H37N5O9/c1-40(20-26-29(49-3)16-21(17-30(26)50-4)25-19-41(2)35(46)24-18-38-14-13-22(24)25)32(44)10-5-6-15-51-28-9-7-8-23-33(28)37(48)42(36(23)47)27-11-12-31(43)39-34(27)45/h7-9,13-14,16-19,27H,5-6,10-12,15,20H2,1-4H3,(H,39,43,45)
InChIKeyRCBOVHDPVJUXKK-UHFFFAOYSA-N
MW695.73 g/mol
LogP3.23
Rot. Bonds12

About N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide

N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide (PubChem CID 139371673) has the molecular formula C37H37N5O9 and a molecular weight of 695.73 g/mol. Its IUPAC name is N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide.

Molecular Properties

Compound NameN-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide
PubChem CID139371673
Molecular FormulaC37H37N5O9
Molecular Weight695.73 g/mol
Exact Mass695.26
IUPAC NameN-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C(=O)CCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C37H37N5O9/c1-40(20-26-29(49-3)16-21(17-30(26)50-4)25-19-41(2)35(46)24-18-38-14-13-22(24)25)32(44)10-5-6-15-51-28-9-7-8-23-33(28)37(48)42(36(23)47)27-11-12-31(43)39-34(27)45/h7-9,13-14,16-19,27H,5-6,10-12,15,20H2,1-4H3,(H,39,43,45)
InChIKeyRCBOVHDPVJUXKK-UHFFFAOYSA-N
XLogP3.23
TPSA166.44 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.73
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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 N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide?
The IUPAC name of N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide (CID 139371673) is N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide.
What is the SMILES notation for N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide?
The canonical SMILES for N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C(=O)CCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide?
The InChIKey is RCBOVHDPVJUXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N5O9/c1-40(20-26-29(49-3)16-21(17-30(26)50-4)25-19-41(2)35(46)24-18-38-14-13-22(24)25)32(44)10-5-6-15-51-28-9-7-8-23-33(28)37(48)42(36(23)47)27-11-12-31(43)39-34(27)45/h7-9,13-14,16-19,27H,5-6,10-12,15,20H2,1-4H3,(H,39,43,45).
What are the key properties of N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide?
N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide has a molecular weight of 695.73 g/mol, XLogP of 3.23, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylpentanamide is sourced from PubChem (CID 139371673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).