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

C20H19N3O3 — CID 2635698

IUPAC1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H19N3O3/c1-26-17-9-7-15(8-10-17)13-21-20(25)18-11-12-19(24)23(22-18)14-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,25)
InChIKeyROXYGQXZEGVGQI-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.23
Rot. Bonds6

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

1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 2635698) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID2635698
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H19N3O3/c1-26-17-9-7-15(8-10-17)13-21-20(25)18-11-12-19(24)23(22-18)14-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,25)
InChIKeyROXYGQXZEGVGQI-UHFFFAOYSA-N
XLogP2.23
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 32821068
1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 32821069
1-benzyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide
CID 112789918
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 27376568
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247979
N-benzyl-3-(2-isocyanoacetyl)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide
CID 20729576
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 46691833
1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 112764484
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257
N-(4-methoxyphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 41247941

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide (CID 2635698) is 1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1.
What is the InChIKey of 1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is ROXYGQXZEGVGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-26-17-9-7-15(8-10-17)13-21-20(25)18-11-12-19(24)23(22-18)14-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,25).
What are the key properties of 1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 2635698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).