[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate

C24H23N5O4 — CID 16581156

IUPAC[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(N2CCOCC2)nc1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H23N5O4/c30-23(26-19-7-9-21(10-8-19)28-27-20-4-2-1-3-5-20)17-33-24(31)18-6-11-22(25-16-18)29-12-14-32-15-13-29/h1-11,16H,12-15,17H2,(H,26,30)/b28-27+
InChIKeyAYXYUEFUTFSNME-BYYHNAKLSA-N
MW445.48 g/mol
LogP4.13
Rot. Bonds7

About [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate

[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 16581156) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate
PubChem CID16581156
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(N2CCOCC2)nc1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H23N5O4/c30-23(26-19-7-9-21(10-8-19)28-27-20-4-2-1-3-5-20)17-33-24(31)18-6-11-22(25-16-18)29-12-14-32-15-13-29/h1-11,16H,12-15,17H2,(H,26,30)/b28-27+
InChIKeyAYXYUEFUTFSNME-BYYHNAKLSA-N
XLogP4.13
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate (CID 16581156) is [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate is O=C(COC(=O)c1ccc(N2CCOCC2)nc1)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is AYXYUEFUTFSNME-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H23N5O4/c30-23(26-19-7-9-21(10-8-19)28-27-20-4-2-1-3-5-20)17-33-24(31)18-6-11-22(25-16-18)29-12-14-32-15-13-29/h1-11,16H,12-15,17H2,(H,26,30)/b28-27+.
What are the key properties of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 445.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 6-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 16581156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).