1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide

C20H19N3O2 — CID 2635662

IUPAC1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(C)c1
InChIInChI=1S/C20H19N3O2/c1-14-8-9-17(15(2)12-14)21-20(25)18-10-11-19(24)23(22-18)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,25)
InChIKeyMLKWKFAHIUZIQX-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.16
Rot. Bonds4

About 1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide

1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 2635662) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID2635662
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(C)c1
InChIInChI=1S/C20H19N3O2/c1-14-8-9-17(15(2)12-14)21-20(25)18-10-11-19(24)23(22-18)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,25)
InChIKeyMLKWKFAHIUZIQX-UHFFFAOYSA-N
XLogP3.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-chloro-4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26253498
1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 24677650
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 24686250
1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 4815678
1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide
CID 121067000
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 26517474
1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 51212377
N-(6-acetyl-1,3-benzodioxol-5-yl)-1-benzyl-6-oxopyridazine-3-carboxamide
CID 42994663
1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 31526625
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-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide (CID 2635662) is 1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(C)c1.
What is the InChIKey of 1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is MLKWKFAHIUZIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-8-9-17(15(2)12-14)21-20(25)18-10-11-19(24)23(22-18)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,25).
What are the key properties of 1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 2635662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).