N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide

C25H21N3O4 — CID 108785217

IUPACN-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)NC(c2ccccc2)c2ccccc2)c(O)cc1=O
InChIInChI=1S/C25H21N3O4/c1-32-21-15-9-8-14-19(21)28-22(30)16-20(29)24(27-28)25(31)26-23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,23,29H,1H3,(H,26,31)
InChIKeyHCLXXMRZSSREMX-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.47
Rot. Bonds6

About N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide

N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 108785217) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID108785217
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC NameN-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)NC(c2ccccc2)c2ccccc2)c(O)cc1=O
InChIInChI=1S/C25H21N3O4/c1-32-21-15-9-8-14-19(21)28-22(30)16-20(29)24(27-28)25(31)26-23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,23,29H,1H3,(H,26,31)
InChIKeyHCLXXMRZSSREMX-UHFFFAOYSA-N
XLogP3.47
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-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

4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785235
N-(3,4-dichlorophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785180
3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 108785229
N-(4-acetamidophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785176
2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 108785234
4-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798433
N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 26842143
N-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798453
N-[4-(diethylamino)butyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785323
N-(2-acetylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798578
ethyl 2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]acetate
CID 108798587

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide (CID 108785217) is N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide is COc1ccccc1-n1nc(C(=O)NC(c2ccccc2)c2ccccc2)c(O)cc1=O.
What is the InChIKey of N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is HCLXXMRZSSREMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-32-21-15-9-8-14-19(21)28-22(30)16-20(29)24(27-28)25(31)26-23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,23,29H,1H3,(H,26,31).
What are the key properties of N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108785217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).