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

C22H16ClN3O3 — CID 46227956

IUPAC2-[1-(4-chloro-2-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESCOc1cc(Cl)ccc1-n1cc(C(=O)C(=O)Nc2ccncc2)c2ccccc21
InChIInChI=1S/C22H16ClN3O3/c1-29-20-12-14(23)6-7-19(20)26-13-17(16-4-2-3-5-18(16)26)21(27)22(28)25-15-8-10-24-11-9-15/h2-13H,1H3,(H,24,25,28)
InChIKeyJADOBQQJQCQWCR-UHFFFAOYSA-N
MW405.84 g/mol
LogP4.51
Rot. Bonds5

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

2-[1-(4-chloro-2-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (PubChem CID 46227956) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is 2-[1-(4-chloro-2-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-chloro-2-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
PubChem CID46227956
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC Name2-[1-(4-chloro-2-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESCOc1cc(Cl)ccc1-n1cc(C(=O)C(=O)Nc2ccncc2)c2ccccc21
InChIInChI=1S/C22H16ClN3O3/c1-29-20-12-14(23)6-7-19(20)26-13-17(16-4-2-3-5-18(16)26)21(27)22(28)25-15-8-10-24-11-9-15/h2-13H,1H3,(H,24,25,28)
InChIKeyJADOBQQJQCQWCR-UHFFFAOYSA-N
XLogP4.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 54.51
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-(4-chloro-2-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-(4-chloro-2-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (CID 46227956) is 2-[1-(4-chloro-2-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-(4-chloro-2-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-(4-chloro-2-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is COc1cc(Cl)ccc1-n1cc(C(=O)C(=O)Nc2ccncc2)c2ccccc21.
What is the InChIKey of 2-[1-(4-chloro-2-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The InChIKey is JADOBQQJQCQWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c1-29-20-12-14(23)6-7-19(20)26-13-17(16-4-2-3-5-18(16)26)21(27)22(28)25-15-8-10-24-11-9-15/h2-13H,1H3,(H,24,25,28).
What are the key properties of 2-[1-(4-chloro-2-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
2-[1-(4-chloro-2-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide has a molecular weight of 405.84 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-2-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is sourced from PubChem (CID 46227956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).