1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide

C19H17N3O3 — CID 110877102

IUPAC1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H17N3O3/c23-13-15-7-4-8-16(11-15)20-19(25)17-9-10-18(24)22(21-17)12-14-5-2-1-3-6-14/h1-11,23H,12-13H2,(H,20,25)
InChIKeyYLZPHUWXIUIIKB-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.04
Rot. Bonds5

About 1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide

1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 110877102) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID110877102
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H17N3O3/c23-13-15-7-4-8-16(11-15)20-19(25)17-9-10-18(24)22(21-17)12-14-5-2-1-3-6-14/h1-11,23H,12-13H2,(H,20,25)
InChIKeyYLZPHUWXIUIIKB-UHFFFAOYSA-N
XLogP2.04
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 26517474
1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 31484146
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-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 24677650
1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide
CID 2095361
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-benzyl-N-(4-fluoro-3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161885
1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 26845028
1-benzyl-N-[3-(hydroxymethyl)phenyl]-5-methyltriazole-4-carboxamide
CID 42603124
1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 2635662

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide (CID 110877102) is 1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide is O=C(Nc1cccc(CO)c1)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is YLZPHUWXIUIIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-13-15-7-4-8-16(11-15)20-19(25)17-9-10-18(24)22(21-17)12-14-5-2-1-3-6-14/h1-11,23H,12-13H2,(H,20,25).
What are the key properties of 1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 110877102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).