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

C21H14BrN3O2 — CID 46227990

IUPAC2-[1-(4-bromophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C21H14BrN3O2/c22-14-5-7-16(8-6-14)25-13-18(17-3-1-2-4-19(17)25)20(26)21(27)24-15-9-11-23-12-10-15/h1-13H,(H,23,24,27)
InChIKeyRDUIYTYRYGHTGS-UHFFFAOYSA-N
MW420.27 g/mol
LogP4.61
Rot. Bonds4

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

2-[1-(4-bromophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (PubChem CID 46227990) has the molecular formula C21H14BrN3O2 and a molecular weight of 420.27 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
PubChem CID46227990
Molecular FormulaC21H14BrN3O2
Molecular Weight420.27 g/mol
Exact Mass419.03
IUPAC Name2-[1-(4-bromophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C21H14BrN3O2/c22-14-5-7-16(8-6-14)25-13-18(17-3-1-2-4-19(17)25)20(26)21(27)24-15-9-11-23-12-10-15/h1-13H,(H,23,24,27)
InChIKeyRDUIYTYRYGHTGS-UHFFFAOYSA-N
XLogP4.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-bromophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-(4-bromophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (CID 46227990) is 2-[1-(4-bromophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-(4-bromophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-(4-bromophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of 2-[1-(4-bromophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The InChIKey is RDUIYTYRYGHTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN3O2/c22-14-5-7-16(8-6-14)25-13-18(17-3-1-2-4-19(17)25)20(26)21(27)24-15-9-11-23-12-10-15/h1-13H,(H,23,24,27).
What are the key properties of 2-[1-(4-bromophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
2-[1-(4-bromophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide has a molecular weight of 420.27 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is sourced from PubChem (CID 46227990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).