[2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

C19H17N3O5 — CID 5189976

IUPAC[2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESO=C1CCC(C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)=NN1
InChIInChI=1S/C19H17N3O5/c23-17-10-9-16(21-22-17)19(25)26-12-18(24)20-13-5-4-8-15(11-13)27-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,20,24)(H,22,23)
InChIKeyXYEGZMFLPTWCAT-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.23
Rot. Bonds6

About [2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

[2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (PubChem CID 5189976) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is [2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
PubChem CID5189976
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name[2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESO=C1CCC(C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)=NN1
InChIInChI=1S/C19H17N3O5/c23-17-10-9-16(21-22-17)19(25)26-12-18(24)20-13-5-4-8-15(11-13)27-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,20,24)(H,22,23)
InChIKeyXYEGZMFLPTWCAT-UHFFFAOYSA-N
XLogP2.23
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203184
[2-(3,4-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203166
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203280
[2-oxo-2-(2-phenylanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7194941
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 5166441
[2-oxo-2-(3-phenoxyanilino)ethyl] 5-bromopyridine-3-carboxylate
CID 16523043
(2-anilino-2-oxoethyl) 3-phenoxybenzoate
CID 2511602
[2-oxo-2-(3-phenoxyanilino)ethyl] 4-iodobenzoate
CID 2388758
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7211228
[2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate
CID 2361312
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7194863
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203249

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The IUPAC name of [2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (CID 5189976) is [2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is O=C1CCC(C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)=NN1.
What is the InChIKey of [2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The InChIKey is XYEGZMFLPTWCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c23-17-10-9-16(21-22-17)19(25)26-12-18(24)20-13-5-4-8-15(11-13)27-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,20,24)(H,22,23).
What are the key properties of [2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
[2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate has a molecular weight of 367.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 5189976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).