2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid

C26H20N4O5 — CID 108790984

IUPAC2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1
InChIInChI=1S/C26H20N4O5/c31-20(32)15-27-24(33)18-11-13-19(14-12-18)28-25(34)22-21(16-7-3-1-4-8-16)23(29-30-26(22)35)17-9-5-2-6-10-17/h1-14H,15H2,(H,27,33)(H,28,34)(H,30,35)(H,31,32)
InChIKeyVOFMBFPQLBSMBJ-UHFFFAOYSA-N
MW468.47 g/mol
LogP3.17
Rot. Bonds7

About 2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid

2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid (PubChem CID 108790984) has the molecular formula C26H20N4O5 and a molecular weight of 468.47 g/mol. Its IUPAC name is 2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid
PubChem CID108790984
Molecular FormulaC26H20N4O5
Molecular Weight468.47 g/mol
Exact Mass468.14
IUPAC Name2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1
InChIInChI=1S/C26H20N4O5/c31-20(32)15-27-24(33)18-11-13-19(14-12-18)28-25(34)22-21(16-7-3-1-4-8-16)23(29-30-26(22)35)17-9-5-2-6-10-17/h1-14H,15H2,(H,27,33)(H,28,34)(H,30,35)(H,31,32)
InChIKeyVOFMBFPQLBSMBJ-UHFFFAOYSA-N
XLogP3.17
TPSA141.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid 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

6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide
CID 108790884
6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide
CID 16832284
methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate
CID 108803578
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108737815
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 16957838
3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid
CID 108745418
N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333116
N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790914
N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108744733
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871114
N-[(5-bromo-1,3-thiazol-2-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333100
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108803588

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid (CID 108790984) is 2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1.
What is the InChIKey of 2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid?
The InChIKey is VOFMBFPQLBSMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O5/c31-20(32)15-27-24(33)18-11-13-19(14-12-18)28-25(34)22-21(16-7-3-1-4-8-16)23(29-30-26(22)35)17-9-5-2-6-10-17/h1-14H,15H2,(H,27,33)(H,28,34)(H,30,35)(H,31,32).
What are the key properties of 2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid?
2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid has a molecular weight of 468.47 g/mol, XLogP of 3.17, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 108790984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).