[2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate

C21H18N2O4 — CID 7866583

IUPAC[2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H18N2O4/c24-20(15-27-21(25)19-8-4-5-13-22-19)23-17-9-11-18(12-10-17)26-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24)
InChIKeyZAYBEOFCWGVGJK-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.46
Rot. Bonds7

About [2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate (PubChem CID 7866583) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate
PubChem CID7866583
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H18N2O4/c24-20(15-27-21(25)19-8-4-5-13-22-19)23-17-9-11-18(12-10-17)26-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24)
InChIKeyZAYBEOFCWGVGJK-UHFFFAOYSA-N
XLogP3.46
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate
CID 3355066
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8003023
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] pyridine-2-carboxylate
CID 7866567
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
CID 7717087
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate
CID 7727286
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(2-methylphenyl)acetate
CID 7489257
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7628986
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
CID 7703196
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648215
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate (CID 7866583) is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate?
The InChIKey is ZAYBEOFCWGVGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-20(15-27-21(25)19-8-4-5-13-22-19)23-17-9-11-18(12-10-17)26-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24).
What are the key properties of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate?
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate is sourced from PubChem (CID 7866583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).