ethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate

C20H18N2O3 — CID 156717192

IUPACethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate
SMILESCCOC(=O)c1ccccc1-c1cc(Nc2ccccc2)c[nH]c1=O
InChIInChI=1S/C20H18N2O3/c1-2-25-20(24)17-11-7-6-10-16(17)18-12-15(13-21-19(18)23)22-14-8-4-3-5-9-14/h3-13,22H,2H2,1H3,(H,21,23)
InChIKeyLBKQFDQINLOUTE-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.96
Rot. Bonds5

About ethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate

ethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate (PubChem CID 156717192) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is ethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate
PubChem CID156717192
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Nameethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate
SMILESCCOC(=O)c1ccccc1-c1cc(Nc2ccccc2)c[nH]c1=O
InChIInChI=1S/C20H18N2O3/c1-2-25-20(24)17-11-7-6-10-16(17)18-12-15(13-21-19(18)23)22-14-8-4-3-5-9-14/h3-13,22H,2H2,1H3,(H,21,23)
InChIKeyLBKQFDQINLOUTE-UHFFFAOYSA-N
XLogP3.96
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate?
The IUPAC name of ethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate (CID 156717192) is ethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate.
What is the SMILES notation for ethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate?
The canonical SMILES for ethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate is CCOC(=O)c1ccccc1-c1cc(Nc2ccccc2)c[nH]c1=O.
What is the InChIKey of ethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate?
The InChIKey is LBKQFDQINLOUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-2-25-20(24)17-11-7-6-10-16(17)18-12-15(13-21-19(18)23)22-14-8-4-3-5-9-14/h3-13,22H,2H2,1H3,(H,21,23).
What are the key properties of ethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate?
ethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate has a molecular weight of 334.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-anilino-2-oxo-1H-pyridin-3-yl)benzoate is sourced from PubChem (CID 156717192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).