1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide

C21H21N3O2 — CID 4815678

IUPAC1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C21H21N3O2/c1-3-17-11-7-8-15(2)20(17)22-21(26)18-12-13-19(25)24(23-18)14-16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,22,26)
InChIKeyXJHHBDLMOOPMJN-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.41
Rot. Bonds5

About 1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide

1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 4815678) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID4815678
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C21H21N3O2/c1-3-17-11-7-8-15(2)20(17)22-21(26)18-12-13-19(25)24(23-18)14-16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,22,26)
InChIKeyXJHHBDLMOOPMJN-UHFFFAOYSA-N
XLogP3.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 31287347
N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 42161937
1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 2635662
1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 31484146
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 110877102
1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide
CID 51237900
1-benzyl-N-(2-chloro-4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26253498
1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
CID 51923294
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 26517474

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide (CID 4815678) is 1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide is CCc1cccc(C)c1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is XJHHBDLMOOPMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-17-11-7-8-15(2)20(17)22-21(26)18-12-13-19(25)24(23-18)14-16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,22,26).
What are the key properties of 1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide?
1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.41, 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-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 4815678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).