[2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate

C23H21N3O5 — CID 30696795

IUPAC[2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1=O
InChIInChI=1S/C23H21N3O5/c1-2-14-26-21(28)13-12-19(25-26)23(30)31-15-20(27)24-18-11-7-6-10-17(18)22(29)16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,24,27)
InChIKeyJUIIMZLWVVSUSR-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.68
Rot. Bonds8

About [2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate

[2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate (PubChem CID 30696795) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is [2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
PubChem CID30696795
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name[2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1=O
InChIInChI=1S/C23H21N3O5/c1-2-14-26-21(28)13-12-19(25-26)23(30)31-15-20(27)24-18-11-7-6-10-17(18)22(29)16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,24,27)
InChIKeyJUIIMZLWVVSUSR-UHFFFAOYSA-N
XLogP2.68
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080248
[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 30394191
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18081052
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18197054
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
CID 5155011
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18201993
[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18104073
[2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate
CID 4664729
[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 16610854
[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 30563601
[2-(4-acetamidoanilino)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 30682315

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?
The IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate (CID 30696795) is [2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate.
What is the SMILES notation for [2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?
The canonical SMILES for [2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate is CCCn1nc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1=O.
What is the InChIKey of [2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?
The InChIKey is JUIIMZLWVVSUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-2-14-26-21(28)13-12-19(25-26)23(30)31-15-20(27)24-18-11-7-6-10-17(18)22(29)16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,24,27).
What are the key properties of [2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?
[2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate has a molecular weight of 419.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate is sourced from PubChem (CID 30696795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).