N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C19H17N3O3 — CID 51073720

IUPACN-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c(O)c1
InChIInChI=1S/C19H17N3O3/c1-12-8-9-15(16(23)10-12)20-19(25)18-17(24)11-13(2)22(21-18)14-6-4-3-5-7-14/h3-11,23H,1-2H3,(H,20,25)
InChIKeySTHIZQVHODRVHD-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.81
Rot. Bonds3

About N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 51073720) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID51073720
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c(O)c1
InChIInChI=1S/C19H17N3O3/c1-12-8-9-15(16(23)10-12)20-19(25)18-17(24)11-13(2)22(21-18)14-6-4-3-5-7-14/h3-11,23H,1-2H3,(H,20,25)
InChIKeySTHIZQVHODRVHD-UHFFFAOYSA-N
XLogP2.81
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-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

N-(2-fluoro-5-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 36670494
N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8565302
N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17481644
6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8810913
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51237420
6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 35568218
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9090833
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633
N-[4-(cyanomethyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27163514
N-(2-chlorophenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27824744

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 51073720) is N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is STHIZQVHODRVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-8-9-15(16(23)10-12)20-19(25)18-17(24)11-13(2)22(21-18)14-6-4-3-5-7-14/h3-11,23H,1-2H3,(H,20,25).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 51073720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).