1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide

C22H23N3O4 — CID 31526625

IUPAC1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1
InChIInChI=1S/C22H23N3O4/c1-3-28-17-10-12-20(29-4-2)19(14-17)23-22(27)18-11-13-21(26)25(24-18)15-16-8-6-5-7-9-16/h5-14H,3-4,15H2,1-2H3,(H,23,27)
InChIKeyNVIZXIKSWIGAQG-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.34
Rot. Bonds8

About 1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide

1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 31526625) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID31526625
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1
InChIInChI=1S/C22H23N3O4/c1-3-28-17-10-12-20(29-4-2)19(14-17)23-22(27)18-11-13-21(26)25(24-18)15-16-8-6-5-7-9-16/h5-14H,3-4,15H2,1-2H3,(H,23,27)
InChIKeyNVIZXIKSWIGAQG-UHFFFAOYSA-N
XLogP3.34
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide
CID 16547973
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 2635662
1-benzyl-N-(2-chloro-4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26253498
1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 32821069
1-benzyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 32821068
N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 46636276
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
N-(6-acetyl-1,3-benzodioxol-5-yl)-1-benzyl-6-oxopyridazine-3-carboxamide
CID 42994663
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 24676491
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247653

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide (CID 31526625) is 1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1.
What is the InChIKey of 1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is NVIZXIKSWIGAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-28-17-10-12-20(29-4-2)19(14-17)23-22(27)18-11-13-21(26)25(24-18)15-16-8-6-5-7-9-16/h5-14H,3-4,15H2,1-2H3,(H,23,27).
What are the key properties of 1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide?
1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 31526625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).