1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide

C22H23N3O4 — CID 51143596

IUPAC1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C22H23N3O4/c1-24(14-17-9-11-19(28-2)20(13-17)29-3)22(27)18-10-12-21(26)25(23-18)15-16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3
InChIKeyNHKAFJWYNNEFPY-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.58
Rot. Bonds7

About 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide

1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 51143596) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
PubChem CID51143596
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C22H23N3O4/c1-24(14-17-9-11-19(28-2)20(13-17)29-3)22(27)18-10-12-21(26)25(23-18)15-16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3
InChIKeyNHKAFJWYNNEFPY-UHFFFAOYSA-N
XLogP2.58
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 31327419
1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 111695210
1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 134058913
1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 31795511
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
1-benzyl-N-(1,1-difluoropropan-2-yl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 166303082
1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 51212377
N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 51048621
2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one
CID 76683951
1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 78770523
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109119122
1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide
CID 16547973

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide (CID 51143596) is 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide is COc1ccc(CN(C)C(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1OC.
What is the InChIKey of 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is NHKAFJWYNNEFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-24(14-17-9-11-19(28-2)20(13-17)29-3)22(27)18-10-12-21(26)25(23-18)15-16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3.
What are the key properties of 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51143596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).