3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid

C25H19N3O4 — CID 108745418

IUPAC3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)c1
InChIInChI=1S/C25H19N3O4/c29-23(26-15-16-8-7-13-19(14-16)25(31)32)21-20(17-9-3-1-4-10-17)22(27-28-24(21)30)18-11-5-2-6-12-18/h1-14H,15H2,(H,26,29)(H,28,30)(H,31,32)
InChIKeyDWWBVPFSYNYAMQ-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.73
Rot. Bonds6

About 3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid

3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid (PubChem CID 108745418) has the molecular formula C25H19N3O4 and a molecular weight of 425.44 g/mol. Its IUPAC name is 3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid
PubChem CID108745418
Molecular FormulaC25H19N3O4
Molecular Weight425.44 g/mol
Exact Mass425.14
IUPAC Name3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)c1
InChIInChI=1S/C25H19N3O4/c29-23(26-15-16-8-7-13-19(14-16)25(31)32)21-20(17-9-3-1-4-10-17)22(27-28-24(21)30)18-11-5-2-6-12-18/h1-14H,15H2,(H,26,29)(H,28,30)(H,31,32)
InChIKeyDWWBVPFSYNYAMQ-UHFFFAOYSA-N
XLogP3.73
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid with MolForge

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Related Compounds

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108737663
N-[(5-bromo-1,3-thiazol-2-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333100
3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
CID 108767634
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333056
methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate
CID 108803578
2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 108803564
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333099
3-[5-[(4-chlorophenyl)methylcarbamoyl]-6-oxo-1H-pyridazin-3-yl]benzoic acid
CID 59018051
3-[[(2,6-dimethoxybenzoyl)amino]methyl]benzoic acid
CID 108767636
N-[(3-carbamoylphenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 32636396
N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333116

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid (CID 108745418) is 3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid is O=C(O)c1cccc(CNC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)c1.
What is the InChIKey of 3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid?
The InChIKey is DWWBVPFSYNYAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4/c29-23(26-15-16-8-7-13-19(14-16)25(31)32)21-20(17-9-3-1-4-10-17)22(27-28-24(21)30)18-11-5-2-6-12-18/h1-14H,15H2,(H,26,29)(H,28,30)(H,31,32).
What are the key properties of 3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid?
3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid has a molecular weight of 425.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 108745418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).