3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid

C39H42N6O8 — CID 155026896

About 3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid

3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid (PubChem CID 155026896) has the molecular formula C39H42N6O8 and a molecular weight of 722.80 g/mol. Its IUPAC name is 3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid
• PubChem CID: 155026896
• Molecular Formula: C39H42N6O8
• Molecular Weight: 722.80 g/mol
• Exact Mass: 722.31
• IUPAC Name: 3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnc(N(C)C)cc23)cc(OC)c1CN1CCC(c2ccc3c(c2)C(=O)N(C2CCC(=O)N(C(=O)O)C2=O)C3)CC1
• InChI: InChI=1S/C39H42N6O8/c1-41(2)34-17-27-28(18-40-34)36(47)42(3)20-29(27)25-15-32(52-4)30(33(16-25)53-5)21-43-12-10-22(11-13-43)23-6-7-24-19-44(37(48)26(24)14-23)31-8-9-35(46)45(38(31)49)39(50)51/h6-7,14-18,20,22,31H,8-13,19,21H2,1-5H3,(H,50,51)
• InChIKey: UZUSHLJFHNXCJM-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 154.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.80
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid?

The IUPAC name of 3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid (CID 155026896) is 3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid.

What is the SMILES notation for 3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid?

The canonical SMILES for 3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid is COc1cc(-c2cn(C)c(=O)c3cnc(N(C)C)cc23)cc(OC)c1CN1CCC(c2ccc3c(c2)C(=O)N(C2CCC(=O)N(C(=O)O)C2=O)C3)CC1.

What is the InChIKey of 3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid?

The InChIKey is UZUSHLJFHNXCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N6O8/c1-41(2)34-17-27-28(18-40-34)36(47)42(3)20-29(27)25-15-32(52-4)30(33(16-25)53-5)21-43-12-10-22(11-13-43)23-6-7-24-19-44(37(48)26(24)14-23)31-8-9-35(46)45(38(31)49)39(50)51/h6-7,14-18,20,22,31H,8-13,19,21H2,1-5H3,(H,50,51).

What are the key properties of 3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid?

3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid has a molecular weight of 722.80 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid is sourced from PubChem (CID 155026896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).