2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide

C21H23N3O4 — CID 127042239

IUPAC2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide
SMILESCOCCn1cc(C(=O)C(=O)Nc2ccc(OC(C)C)nc2)c2ccccc21
InChIInChI=1S/C21H23N3O4/c1-14(2)28-19-9-8-15(12-22-19)23-21(26)20(25)17-13-24(10-11-27-3)18-7-5-4-6-16(17)18/h4-9,12-14H,10-11H2,1-3H3,(H,23,26)
InChIKeyPQCMYBMCWKDDCK-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.29
Rot. Bonds8

About 2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide

2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide (PubChem CID 127042239) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide
PubChem CID127042239
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide
SMILESCOCCn1cc(C(=O)C(=O)Nc2ccc(OC(C)C)nc2)c2ccccc21
InChIInChI=1S/C21H23N3O4/c1-14(2)28-19-9-8-15(12-22-19)23-21(26)20(25)17-13-24(10-11-27-3)18-7-5-4-6-16(17)18/h4-9,12-14H,10-11H2,1-3H3,(H,23,26)
InChIKeyPQCMYBMCWKDDCK-UHFFFAOYSA-N
XLogP3.29
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.29
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]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide?
The IUPAC name of 2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide (CID 127042239) is 2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide is COCCn1cc(C(=O)C(=O)Nc2ccc(OC(C)C)nc2)c2ccccc21.
What is the InChIKey of 2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide?
The InChIKey is PQCMYBMCWKDDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14(2)28-19-9-8-15(12-22-19)23-21(26)20(25)17-13-24(10-11-27-3)18-7-5-4-6-16(17)18/h4-9,12-14H,10-11H2,1-3H3,(H,23,26).
What are the key properties of 2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide?
2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide has a molecular weight of 381.43 g/mol, XLogP of 3.29, 8 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]-2-oxo-N-(6-propan-2-yloxy-3-pyridinyl)acetamide is sourced from PubChem (CID 127042239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).