[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate

C20H17N5O3 — CID 7760622

IUPAC[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cn1
InChIInChI=1S/C20H17N5O3/c1-14-11-22-18(12-21-14)20(27)28-13-19(26)23-15-7-9-17(10-8-15)25-24-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,23,26)/b25-24+
InChIKeyOBTIJADGNHSLNE-OCOZRVBESA-N
MW375.39 g/mol
LogP4.00
Rot. Bonds6

About [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate

[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 7760622) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate
PubChem CID7760622
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cn1
InChIInChI=1S/C20H17N5O3/c1-14-11-22-18(12-21-14)20(27)28-13-19(26)23-15-7-9-17(10-8-15)25-24-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,23,26)/b25-24+
InChIKeyOBTIJADGNHSLNE-OCOZRVBESA-N
XLogP4.00
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-cyanoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2356445
[2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7760422
[2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337979
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950221
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2354785
[2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337047
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2498078
(2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate
CID 7950061
[2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2338086
[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8850680
[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2391136
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 9199802

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate (CID 7760622) is [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cn1.
What is the InChIKey of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is OBTIJADGNHSLNE-OCOZRVBESA-N. The full InChI is InChI=1S/C20H17N5O3/c1-14-11-22-18(12-21-14)20(27)28-13-19(26)23-15-7-9-17(10-8-15)25-24-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,23,26)/b25-24+.
What are the key properties of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate?
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 375.39 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7760622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).