N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-methylacetamide

C₂₈H₃₉N₅O₆ — CID 139373709

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-methylacetamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-methylacetamide (PubChem CID 139373709) has the molecular formula C₂₈H₃₉N₅O₆ and a molecular weight of 541.65 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-methylacetamide.

Molecular Properties

• Compound Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-methylacetamide
• PubChem CID: 139373709
• Molecular Formula: C₂₈H₃₉N₅O₆
• Molecular Weight: 541.65 g/mol
• Exact Mass: 541.29
• IUPAC Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-methylacetamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)CC(=O)N(C)CCOCCOCCN
• InChI: InChI=1S/C28H39N5O6/c1-31(19-27(34)32(2)9-11-39-13-12-38-10-7-29)17-24-25(36-4)14-20(15-26(24)37-5)23-18-33(3)28(35)22-16-30-8-6-21(22)23/h6,8,14-16,18H,7,9-13,17,19,29H2,1-5H3
• InChIKey: GFCVPFJMXVJUQJ-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 121.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.65
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-methylacetamide?

The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-methylacetamide (CID 139373709) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-methylacetamide.

What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-methylacetamide?

The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-methylacetamide is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)CC(=O)N(C)CCOCCOCCN.

What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-methylacetamide?

The InChIKey is GFCVPFJMXVJUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O6/c1-31(19-27(34)32(2)9-11-39-13-12-38-10-7-29)17-24-25(36-4)14-20(15-26(24)37-5)23-18-33(3)28(35)22-16-30-8-6-21(22)23/h6,8,14-16,18H,7,9-13,17,19,29H2,1-5H3.

What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-methylacetamide?

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-methylacetamide has a molecular weight of 541.65 g/mol, XLogP of 1.50, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 139373709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139373709 — identifiers, structure, computed properties (public domain)

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