[2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate

C20H17N3O3 — CID 4063744

IUPAC[2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate
SMILESO=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccccn1
InChIInChI=1S/C20H17N3O3/c24-19(23-18-12-6-7-13-21-18)14-26-20(25)16-10-4-5-11-17(16)22-15-8-2-1-3-9-15/h1-13,22H,14H2,(H,21,23,24)
InChIKeyGXOWFQUNBKSQLW-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.62
Rot. Bonds6

About [2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate

[2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate (PubChem CID 4063744) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is [2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate
PubChem CID4063744
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name[2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate
SMILESO=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccccn1
InChIInChI=1S/C20H17N3O3/c24-19(23-18-12-6-7-13-21-18)14-26-20(25)16-10-4-5-11-17(16)22-15-8-2-1-3-9-15/h1-13,22H,14H2,(H,21,23,24)
InChIKeyGXOWFQUNBKSQLW-UHFFFAOYSA-N
XLogP3.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dichloroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 3694895
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate
CID 7857667
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-anilinobenzoate
CID 3287934
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 7857721
[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate
CID 19616159
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate
CID 4791061
[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-anilinobenzoate
CID 23884247
[2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate
CID 2378619
2-[2-oxo-2-(pyridin-2-ylamino)ethoxy]acetic acid
CID 2737830
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953752
[2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515590
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 3362952

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate?
The IUPAC name of [2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate (CID 4063744) is [2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate.
What is the SMILES notation for [2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate?
The canonical SMILES for [2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate is O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccccn1.
What is the InChIKey of [2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate?
The InChIKey is GXOWFQUNBKSQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-19(23-18-12-6-7-13-21-18)14-26-20(25)16-10-4-5-11-17(16)22-15-8-2-1-3-9-15/h1-13,22H,14H2,(H,21,23,24).
What are the key properties of [2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate?
[2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate has a molecular weight of 347.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate is sourced from PubChem (CID 4063744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).