1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide

C21H21N3O2 — CID 31484146

IUPAC1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1
InChIInChI=1S/C21H21N3O2/c1-15(2)17-9-6-10-18(13-17)22-21(26)19-11-12-20(25)24(23-19)14-16-7-4-3-5-8-16/h3-13,15H,14H2,1-2H3,(H,22,26)
InChIKeyDGUQHNLPPKKGDJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.67
Rot. Bonds5

About 1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide

1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide (PubChem CID 31484146) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
PubChem CID31484146
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1
InChIInChI=1S/C21H21N3O2/c1-15(2)17-9-6-10-18(13-17)22-21(26)19-11-12-20(25)24(23-19)14-16-7-4-3-5-8-16/h3-13,15H,14H2,1-2H3,(H,22,26)
InChIKeyDGUQHNLPPKKGDJ-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 110877102
1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 26517474
1-benzyl-N-(3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161871
1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide
CID 31520736
1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 24677650
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide
CID 51308720
1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 4815678
1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide
CID 2095361
1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide
CID 112761495
(2R)-2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364680

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide (CID 31484146) is 1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide is CC(C)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1.
What is the InChIKey of 1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is DGUQHNLPPKKGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15(2)17-9-6-10-18(13-17)22-21(26)19-11-12-20(25)24(23-19)14-16-7-4-3-5-8-16/h3-13,15H,14H2,1-2H3,(H,22,26).
What are the key properties of 1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide?
1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 31484146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).