1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide

C22H22N4O3 — CID 31287347

IUPAC1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C22H22N4O3/c1-2-17-10-6-7-11-18(17)24-20(27)14-23-22(29)19-12-13-21(28)26(25-19)15-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,23,29)(H,24,27)
InChIKeyYVOYHCXTQAWTCC-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.22
Rot. Bonds7

About 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide

1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 31287347) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
PubChem CID31287347
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C22H22N4O3/c1-2-17-10-6-7-11-18(17)24-20(27)14-23-22(29)19-12-13-21(28)26(25-19)15-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,23,29)(H,24,27)
InChIKeyYVOYHCXTQAWTCC-UHFFFAOYSA-N
XLogP2.22
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 42161937
1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 4815678
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide
CID 121067031
1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 2635662
1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
CID 51923294
1-benzyl-N-(2-chloro-4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26253498
1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide
CID 121067000
1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide
CID 51237900

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide (CID 31287347) is 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide is CCc1ccccc1NC(=O)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is YVOYHCXTQAWTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-2-17-10-6-7-11-18(17)24-20(27)14-23-22(29)19-12-13-21(28)26(25-19)15-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,23,29)(H,24,27).
What are the key properties of 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 31287347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).