2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide

C19H19N3O4 — CID 127039953

IUPAC2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
SMILESCOCCn1cc(C(=O)C(=O)Nc2ccnc(OC)c2)c2ccccc21
InChIInChI=1S/C19H19N3O4/c1-25-10-9-22-12-15(14-5-3-4-6-16(14)22)18(23)19(24)21-13-7-8-20-17(11-13)26-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,21,24)
InChIKeyUCVWDRMYHSZOHR-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.51
Rot. Bonds7

About 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide

2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (PubChem CID 127039953) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
PubChem CID127039953
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
SMILESCOCCn1cc(C(=O)C(=O)Nc2ccnc(OC)c2)c2ccccc21
InChIInChI=1S/C19H19N3O4/c1-25-10-9-22-12-15(14-5-3-4-6-16(14)22)18(23)19(24)21-13-7-8-20-17(11-13)26-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,21,24)
InChIKeyUCVWDRMYHSZOHR-UHFFFAOYSA-N
XLogP2.51
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (CID 127039953) is 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is COCCn1cc(C(=O)C(=O)Nc2ccnc(OC)c2)c2ccccc21.
What is the InChIKey of 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The InChIKey is UCVWDRMYHSZOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-25-10-9-22-12-15(14-5-3-4-6-16(14)22)18(23)19(24)21-13-7-8-20-17(11-13)26-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,21,24).
What are the key properties of 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide has a molecular weight of 353.38 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 127039953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).