1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide

C20H19N3O2 — CID 39730942

IUPAC1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C20H19N3O2/c1-15-7-5-6-10-17(15)13-21-20(25)18-11-12-19(24)23(22-18)14-16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,21,25)
InChIKeyQFDHUHQKXPMLER-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.53
Rot. Bonds5

About 1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide

1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 39730942) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID39730942
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C20H19N3O2/c1-15-7-5-6-10-17(15)13-21-20(25)18-11-12-19(24)23(22-18)14-16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,21,25)
InChIKeyQFDHUHQKXPMLER-UHFFFAOYSA-N
XLogP2.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 4815678
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 31287347
2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one
CID 39712553
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257
1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 27376568
1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 2635662
1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
CID 51923294
1-benzyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-6-oxopyridazine-3-carboxamide
CID 32964770
1-benzyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-6-oxopyridazine-3-carboxamide
CID 78804750
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide (CID 39730942) is 1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide is Cc1ccccc1CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is QFDHUHQKXPMLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15-7-5-6-10-17(15)13-21-20(25)18-11-12-19(24)23(22-18)14-16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,21,25).
What are the key properties of 1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 39730942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).