4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide

C25H28N4O3 — CID 108809251

IUPAC4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c(O)cc2=O)c1
InChIInChI=1S/C25H28N4O3/c1-17-10-12-28(13-11-17)16-19-6-8-20(9-7-19)26-25(32)24-22(30)15-23(31)29(27-24)21-5-3-4-18(2)14-21/h3-9,14-15,17,30H,10-13,16H2,1-2H3,(H,26,32)
InChIKeyBREJPJGBOFISTL-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.73
Rot. Bonds5

About 4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide

4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 108809251) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID108809251
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c(O)cc2=O)c1
InChIInChI=1S/C25H28N4O3/c1-17-10-12-28(13-11-17)16-19-6-8-20(9-7-19)26-25(32)24-22(30)15-23(31)29(27-24)21-5-3-4-18(2)14-21/h3-9,14-15,17,30H,10-13,16H2,1-2H3,(H,26,32)
InChIKeyBREJPJGBOFISTL-UHFFFAOYSA-N
XLogP3.73
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]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

5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide
CID 55912526
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 108798228
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 108785020
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784993
4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 108798296
4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 108809192
5-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55846970
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 108784965
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108798395
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 108760742
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 99959632
1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507902

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide (CID 108809251) is 4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c(O)cc2=O)c1.
What is the InChIKey of 4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is BREJPJGBOFISTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17-10-12-28(13-11-17)16-19-6-8-20(9-7-19)26-25(32)24-22(30)15-23(31)29(27-24)21-5-3-4-18(2)14-21/h3-9,14-15,17,30H,10-13,16H2,1-2H3,(H,26,32).
What are the key properties of 4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide?
4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108809251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).