1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C22H24N4O4 — CID 53336323

IUPAC1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCc1cccc(NC(=O)CN2N=C(C(=O)Nc3ccc(OC)cc3)CCC2=O)c1
InChIInChI=1S/C22H24N4O4/c1-3-15-5-4-6-17(13-15)23-20(27)14-26-21(28)12-11-19(25-26)22(29)24-16-7-9-18(30-2)10-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyXJDOHFAITCALSQ-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.81
Rot. Bonds7

About 1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 53336323) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID53336323
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCc1cccc(NC(=O)CN2N=C(C(=O)Nc3ccc(OC)cc3)CCC2=O)c1
InChIInChI=1S/C22H24N4O4/c1-3-15-5-4-6-17(13-15)23-20(27)14-26-21(28)12-11-19(25-26)22(29)24-16-7-9-18(30-2)10-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyXJDOHFAITCALSQ-UHFFFAOYSA-N
XLogP2.81
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53336336
N,1-bis(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 15995625
N-(4-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 945023
2-[[amino-(4-methoxyanilino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093852
N-(3-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 942417
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53157467
N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592549
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
2-(3-ethylanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283332
1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55741614
[2-(3-ethylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8778311
2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 35146831

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 53336323) is 1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is CCc1cccc(NC(=O)CN2N=C(C(=O)Nc3ccc(OC)cc3)CCC2=O)c1.
What is the InChIKey of 1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is XJDOHFAITCALSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-3-15-5-4-6-17(13-15)23-20(27)14-26-21(28)12-11-19(25-26)22(29)24-16-7-9-18(30-2)10-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,23,27)(H,24,29).
What are the key properties of 1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 53336323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).