ethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate

C22H23N3O6 — CID 127042248

IUPACethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)C(=O)c2cn(CCOC)c3ccccc23)cn1
InChIInChI=1S/C22H23N3O6/c1-3-30-20(26)14-31-19-9-8-15(12-23-19)24-22(28)21(27)17-13-25(10-11-29-2)18-7-5-4-6-16(17)18/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,24,28)
InChIKeyLLBNSRTTXVDPSH-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.45
Rot. Bonds10

About ethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate

ethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate (PubChem CID 127042248) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is ethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate
PubChem CID127042248
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Nameethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)C(=O)c2cn(CCOC)c3ccccc23)cn1
InChIInChI=1S/C22H23N3O6/c1-3-30-20(26)14-31-19-9-8-15(12-23-19)24-22(28)21(27)17-13-25(10-11-29-2)18-7-5-4-6-16(17)18/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,24,28)
InChIKeyLLBNSRTTXVDPSH-UHFFFAOYSA-N
XLogP2.45
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate?
The IUPAC name of ethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate (CID 127042248) is ethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate?
The canonical SMILES for ethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate is CCOC(=O)COc1ccc(NC(=O)C(=O)c2cn(CCOC)c3ccccc23)cn1.
What is the InChIKey of ethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate?
The InChIKey is LLBNSRTTXVDPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6/c1-3-30-20(26)14-31-19-9-8-15(12-23-19)24-22(28)21(27)17-13-25(10-11-29-2)18-7-5-4-6-16(17)18/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,24,28).
What are the key properties of ethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate?
ethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate has a molecular weight of 425.44 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxoacetyl]amino]-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 127042248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).