N-[[4-[4-[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]piperidin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide

C38H44N6O6 — CID 176672967

About N-[[4-[4-[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]piperidin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide

N-[[4-[4-[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]piperidin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide (PubChem CID 176672967) has the molecular formula C38H44N6O6 and a molecular weight of 680.81 g/mol. Its IUPAC name is N-[[4-[4-[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]piperidin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide.

Molecular Properties

• Compound Name: N-[[4-[4-[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]piperidin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
• PubChem CID: 176672967
• Molecular Formula: C38H44N6O6
• Molecular Weight: 680.81 g/mol
• Exact Mass: 680.33
• IUPAC Name: N-[[4-[4-[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]piperidin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnc(N(C)C)cc23)cc(OC)c1C1CCN(c2ccc(CN(C=O)C3CCC(=O)NC3=O)c(C)c2)CC1
• InChI: InChI=1S/C38H44N6O6/c1-23-15-27(8-7-25(23)20-44(22-45)31-9-10-35(46)40-37(31)47)43-13-11-24(12-14-43)36-32(49-5)16-26(17-33(36)50-6)30-21-42(4)38(48)29-19-39-34(41(2)3)18-28(29)30/h7-8,15-19,21-22,24,31H,9-14,20H2,1-6H3,(H,40,46,47)
• InChIKey: IVXCMBUXSHCRDV-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 126.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	680.81
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]piperidin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide?

The IUPAC name of N-[[4-[4-[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]piperidin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide (CID 176672967) is N-[[4-[4-[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]piperidin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide.

What is the SMILES notation for N-[[4-[4-[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]piperidin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide?

The canonical SMILES for N-[[4-[4-[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]piperidin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide is COc1cc(-c2cn(C)c(=O)c3cnc(N(C)C)cc23)cc(OC)c1C1CCN(c2ccc(CN(C=O)C3CCC(=O)NC3=O)c(C)c2)CC1.

What is the InChIKey of N-[[4-[4-[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]piperidin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide?

The InChIKey is IVXCMBUXSHCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N6O6/c1-23-15-27(8-7-25(23)20-44(22-45)31-9-10-35(46)40-37(31)47)43-13-11-24(12-14-43)36-32(49-5)16-26(17-33(36)50-6)30-21-42(4)38(48)29-19-39-34(41(2)3)18-28(29)30/h7-8,15-19,21-22,24,31H,9-14,20H2,1-6H3,(H,40,46,47).

What are the key properties of N-[[4-[4-[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]piperidin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide?

N-[[4-[4-[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]piperidin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide has a molecular weight of 680.81 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[4-[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]piperidin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide is sourced from PubChem (CID 176672967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).