N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide

C26H22N4O3 — CID 108790558

IUPACN-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C)c2=O)cc1
InChIInChI=1S/C26H22N4O3/c1-17(31)27-20-13-15-21(16-14-20)28-25(32)23-22(18-9-5-3-6-10-18)24(29-30(2)26(23)33)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,27,31)(H,28,32)
InChIKeyMQKOPNIUFGTWRW-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.32
Rot. Bonds5

About N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide

N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108790558) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108790558
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC NameN-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C)c2=O)cc1
InChIInChI=1S/C26H22N4O3/c1-17(31)27-20-13-15-21(16-14-20)28-25(32)23-22(18-9-5-3-6-10-18)24(29-30(2)26(23)33)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,27,31)(H,28,32)
InChIKeyMQKOPNIUFGTWRW-UHFFFAOYSA-N
XLogP4.32
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-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

2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 16957852
2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108727347
N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790637
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803371
N-(4-hydroxy-2-methylphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790593
2-methyl-N-(5-methyl-2-pyridinyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803387
2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
CID 108790559
2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803336
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid
CID 108790658
methyl 4-methyl-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 16876725
ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate
CID 108803402

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (CID 108790558) is N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C)c2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is MQKOPNIUFGTWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-17(31)27-20-13-15-21(16-14-20)28-25(32)23-22(18-9-5-3-6-10-18)24(29-30(2)26(23)33)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108790558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).