2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide

C20H15N3O3 — CID 10936884

IUPAC2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(=O)c1cn(Cc2ccco2)c2ccccc12
InChIInChI=1S/C20H15N3O3/c24-19(20(25)22-14-7-9-21-10-8-14)17-13-23(12-15-4-3-11-26-15)18-6-2-1-5-16(17)18/h1-11,13H,12H2,(H,21,22,25)
InChIKeyLFKXPKVLLGTZEM-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.50
Rot. Bonds5

About 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide

2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (PubChem CID 10936884) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
PubChem CID10936884
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(=O)c1cn(Cc2ccco2)c2ccccc12
InChIInChI=1S/C20H15N3O3/c24-19(20(25)22-14-7-9-21-10-8-14)17-13-23(12-15-4-3-11-26-15)18-6-2-1-5-16(17)18/h1-11,13H,12H2,(H,21,22,25)
InChIKeyLFKXPKVLLGTZEM-UHFFFAOYSA-N
XLogP3.50
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (CID 10936884) is 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccco2)c2ccccc12.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The InChIKey is LFKXPKVLLGTZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-19(20(25)22-14-7-9-21-10-8-14)17-13-23(12-15-4-3-11-26-15)18-6-2-1-5-16(17)18/h1-11,13H,12H2,(H,21,22,25).
What are the key properties of 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide has a molecular weight of 345.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is sourced from PubChem (CID 10936884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).