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

C22H16ClN3O3 — CID 46227955

IUPAC2-[1-(4-chloro-3-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESCOc1cc(-n2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)ccc1Cl
InChIInChI=1S/C22H16ClN3O3/c1-29-20-12-15(6-7-18(20)23)26-13-17(16-4-2-3-5-19(16)26)21(27)22(28)25-14-8-10-24-11-9-14/h2-13H,1H3,(H,24,25,28)
InChIKeyCSSPOPQKEDZPIP-UHFFFAOYSA-N
MW405.84 g/mol
LogP4.51
Rot. Bonds5

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

2-[1-(4-chloro-3-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (PubChem CID 46227955) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-chloro-3-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
PubChem CID46227955
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC Name2-[1-(4-chloro-3-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESCOc1cc(-n2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)ccc1Cl
InChIInChI=1S/C22H16ClN3O3/c1-29-20-12-15(6-7-18(20)23)26-13-17(16-4-2-3-5-19(16)26)21(27)22(28)25-14-8-10-24-11-9-14/h2-13H,1H3,(H,24,25,28)
InChIKeyCSSPOPQKEDZPIP-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-3-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-(4-chloro-3-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (CID 46227955) is 2-[1-(4-chloro-3-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-(4-chloro-3-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-(4-chloro-3-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is COc1cc(-n2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)ccc1Cl.
What is the InChIKey of 2-[1-(4-chloro-3-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The InChIKey is CSSPOPQKEDZPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c1-29-20-12-15(6-7-18(20)23)26-13-17(16-4-2-3-5-19(16)26)21(27)22(28)25-14-8-10-24-11-9-14/h2-13H,1H3,(H,24,25,28).
What are the key properties of 2-[1-(4-chloro-3-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
2-[1-(4-chloro-3-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-3-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is sourced from PubChem (CID 46227955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).