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

C21H15N3O3 — CID 46228029

IUPAC2-[1-(4-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C21H15N3O3/c25-16-7-5-15(6-8-16)24-13-18(17-3-1-2-4-19(17)24)20(26)21(27)23-14-9-11-22-12-10-14/h1-13,25H,(H,22,23,27)
InChIKeyIXDVGCQDETXYKH-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.55
Rot. Bonds4

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

2-[1-(4-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (PubChem CID 46228029) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
PubChem CID46228029
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name2-[1-(4-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C21H15N3O3/c25-16-7-5-15(6-8-16)24-13-18(17-3-1-2-4-19(17)24)20(26)21(27)23-14-9-11-22-12-10-14/h1-13,25H,(H,22,23,27)
InChIKeyIXDVGCQDETXYKH-UHFFFAOYSA-N
XLogP3.55
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
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-(4-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-(4-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (CID 46228029) is 2-[1-(4-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(O)cc2)c2ccccc12.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The InChIKey is IXDVGCQDETXYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-16-7-5-15(6-8-16)24-13-18(17-3-1-2-4-19(17)24)20(26)21(27)23-14-9-11-22-12-10-14/h1-13,25H,(H,22,23,27).
What are the key properties of 2-[1-(4-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
2-[1-(4-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide has a molecular weight of 357.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is sourced from PubChem (CID 46228029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).