1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C21H23N3O4 — CID 55739706

IUPAC1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1OC
InChIInChI=1S/C21H23N3O4/c1-27-18-10-8-16(12-19(18)28-2)13-22-21(26)17-9-11-20(25)24(23-17)14-15-6-4-3-5-7-15/h3-8,10,12H,9,11,13-14H2,1-2H3,(H,22,26)
InChIKeyAOYFSJIFUFSIHG-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.50
Rot. Bonds7

About 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55739706) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55739706
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1OC
InChIInChI=1S/C21H23N3O4/c1-27-18-10-8-16(12-19(18)28-2)13-22-21(26)17-9-11-20(25)24(23-17)14-15-6-4-3-5-7-15/h3-8,10,12H,9,11,13-14H2,1-2H3,(H,22,26)
InChIKeyAOYFSJIFUFSIHG-UHFFFAOYSA-N
XLogP2.50
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563822
N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55783925
1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide
CID 55798264
1-benzyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55750017
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
CID 78874236
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 71448041
2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 120701993
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 46772568
1-[(4-fluorophenyl)methyl]-6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 55777486
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9241793
1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55741614

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55739706) is 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is COc1ccc(CNC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1OC.
What is the InChIKey of 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is AOYFSJIFUFSIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-27-18-10-8-16(12-19(18)28-2)13-22-21(26)17-9-11-20(25)24(23-17)14-15-6-4-3-5-7-15/h3-8,10,12H,9,11,13-14H2,1-2H3,(H,22,26).
What are the key properties of 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55739706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).