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

C21H15ClN4O2 — CID 46228054

IUPAC2-[1-(2-amino-4-chlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESNc1cc(Cl)ccc1-n1cc(C(=O)C(=O)Nc2ccncc2)c2ccccc21
InChIInChI=1S/C21H15ClN4O2/c22-13-5-6-19(17(23)11-13)26-12-16(15-3-1-2-4-18(15)26)20(27)21(28)25-14-7-9-24-10-8-14/h1-12H,23H2,(H,24,25,28)
InChIKeyGLLBZSVNGMCCSF-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.08
Rot. Bonds4

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

2-[1-(2-amino-4-chlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (PubChem CID 46228054) has the molecular formula C21H15ClN4O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is 2-[1-(2-amino-4-chlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-(2-amino-4-chlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
PubChem CID46228054
Molecular FormulaC21H15ClN4O2
Molecular Weight390.83 g/mol
Exact Mass390.09
IUPAC Name2-[1-(2-amino-4-chlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESNc1cc(Cl)ccc1-n1cc(C(=O)C(=O)Nc2ccncc2)c2ccccc21
InChIInChI=1S/C21H15ClN4O2/c22-13-5-6-19(17(23)11-13)26-12-16(15-3-1-2-4-18(15)26)20(27)21(28)25-14-7-9-24-10-8-14/h1-12H,23H2,(H,24,25,28)
InChIKeyGLLBZSVNGMCCSF-UHFFFAOYSA-N
XLogP4.08
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-4-chlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-(2-amino-4-chlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (CID 46228054) is 2-[1-(2-amino-4-chlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-(2-amino-4-chlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-(2-amino-4-chlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is Nc1cc(Cl)ccc1-n1cc(C(=O)C(=O)Nc2ccncc2)c2ccccc21.
What is the InChIKey of 2-[1-(2-amino-4-chlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The InChIKey is GLLBZSVNGMCCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2/c22-13-5-6-19(17(23)11-13)26-12-16(15-3-1-2-4-18(15)26)20(27)21(28)25-14-7-9-24-10-8-14/h1-12H,23H2,(H,24,25,28).
What are the key properties of 2-[1-(2-amino-4-chlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
2-[1-(2-amino-4-chlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide has a molecular weight of 390.83 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-4-chlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is sourced from PubChem (CID 46228054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).