N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide

C17H13N3O3 — CID 178130115

IUPACN-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1nn(-c2ccccc2)ccc1=O
InChIInChI=1S/C17H13N3O3/c21-14-8-6-12(7-9-14)18-17(23)16-15(22)10-11-20(19-16)13-4-2-1-3-5-13/h1-11,21H,(H,18,23)
InChIKeyWDJNWMHPBOQJML-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.19
Rot. Bonds3

About N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide

N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 178130115) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID178130115
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1nn(-c2ccccc2)ccc1=O
InChIInChI=1S/C17H13N3O3/c21-14-8-6-12(7-9-14)18-17(23)16-15(22)10-11-20(19-16)13-4-2-1-3-5-13/h1-11,21H,(H,18,23)
InChIKeyWDJNWMHPBOQJML-UHFFFAOYSA-N
XLogP2.19
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-hydroxyphenyl)-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

1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7709813
N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 7693130
1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide
CID 178130114
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
3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 178135055
1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 7692939
1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide
CID 60563144
N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 47028819
N-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide
CID 162516342
N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 111116210
4-(3-anilinopyrazol-1-yl)phenol
CID 21272353

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide (CID 178130115) is N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide is O=C(Nc1ccc(O)cc1)c1nn(-c2ccccc2)ccc1=O.
What is the InChIKey of N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is WDJNWMHPBOQJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-14-8-6-12(7-9-14)18-17(23)16-15(22)10-11-20(19-16)13-4-2-1-3-5-13/h1-11,21H,(H,18,23).
What are the key properties of N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide?
N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 178130115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).