ethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate

C22H19N3O3 — CID 164613649

IUPACethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate
SMILESCCOC(=O)c1cccc(Nc2c[nH]c(=O)c(-c3cccc4[nH]ccc34)c2)c1
InChIInChI=1S/C22H19N3O3/c1-2-28-22(27)14-5-3-6-15(11-14)25-16-12-19(21(26)24-13-16)17-7-4-8-20-18(17)9-10-23-20/h3-13,23,25H,2H2,1H3,(H,24,26)
InChIKeyHZALAZHVWWJGRK-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.44
Rot. Bonds5

About ethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate

ethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate (PubChem CID 164613649) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate
PubChem CID164613649
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Nameethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate
SMILESCCOC(=O)c1cccc(Nc2c[nH]c(=O)c(-c3cccc4[nH]ccc34)c2)c1
InChIInChI=1S/C22H19N3O3/c1-2-28-22(27)14-5-3-6-15(11-14)25-16-12-19(21(26)24-13-16)17-7-4-8-20-18(17)9-10-23-20/h3-13,23,25H,2H2,1H3,(H,24,26)
InChIKeyHZALAZHVWWJGRK-UHFFFAOYSA-N
XLogP4.44
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate?
The IUPAC name of ethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate (CID 164613649) is ethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate?
The canonical SMILES for ethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate is CCOC(=O)c1cccc(Nc2c[nH]c(=O)c(-c3cccc4[nH]ccc34)c2)c1.
What is the InChIKey of ethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate?
The InChIKey is HZALAZHVWWJGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-2-28-22(27)14-5-3-6-15(11-14)25-16-12-19(21(26)24-13-16)17-7-4-8-20-18(17)9-10-23-20/h3-13,23,25H,2H2,1H3,(H,24,26).
What are the key properties of ethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate?
ethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate has a molecular weight of 373.41 g/mol, XLogP of 4.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-(1H-indol-4-yl)-6-oxo-1H-pyridin-3-yl]amino]benzoate is sourced from PubChem (CID 164613649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).