[2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate

C21H19N3O5 — CID 27908502

IUPAC[2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
SMILESCOc1ccccc1Nc1ncccc1C(=O)OCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C21H19N3O5/c1-28-18-7-3-2-6-17(18)24-20-16(5-4-12-22-20)21(27)29-13-19(26)23-14-8-10-15(25)11-9-14/h2-12,25H,13H2,1H3,(H,22,24)(H,23,26)
InChIKeyIXHCZPUDQNKGSW-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.33
Rot. Bonds7

About [2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate

[2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate (PubChem CID 27908502) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is [2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
PubChem CID27908502
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name[2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
SMILESCOc1ccccc1Nc1ncccc1C(=O)OCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C21H19N3O5/c1-28-18-7-3-2-6-17(18)24-20-16(5-4-12-22-20)21(27)29-13-19(26)23-14-8-10-15(25)11-9-14/h2-12,25H,13H2,1H3,(H,22,24)(H,23,26)
InChIKeyIXHCZPUDQNKGSW-UHFFFAOYSA-N
XLogP3.33
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 42967523
N-(4-chlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632593
[2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 4844062
(5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 27027662
(1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 27027534
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632728
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953752
[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 42967528
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542886
[2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075546
N-[4-(2-methoxyanilino)phenyl]-2-phenoxyacetamide
CID 112987353

Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate?
The IUPAC name of [2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate (CID 27908502) is [2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate.
What is the SMILES notation for [2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate?
The canonical SMILES for [2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate is COc1ccccc1Nc1ncccc1C(=O)OCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of [2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate?
The InChIKey is IXHCZPUDQNKGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-28-18-7-3-2-6-17(18)24-20-16(5-4-12-22-20)21(27)29-13-19(26)23-14-8-10-15(25)11-9-14/h2-12,25H,13H2,1H3,(H,22,24)(H,23,26).
What are the key properties of [2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate?
[2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate has a molecular weight of 393.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate is sourced from PubChem (CID 27908502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).