3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide

C27H26N4O4 — CID 46002805

IUPAC3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(Nc2c(Oc3ccccc3)cnn(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C27H26N4O4/c1-34-16-15-28-26(32)21-11-8-12-22(17-21)30-25-24(35-23-13-6-3-7-14-23)18-29-31(27(25)33)19-20-9-4-2-5-10-20/h2-14,17-18,30H,15-16,19H2,1H3,(H,28,32)
InChIKeyZGDGHXXXBGAMCS-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.20
Rot. Bonds10

About 3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide

3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide (PubChem CID 46002805) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide
PubChem CID46002805
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(Nc2c(Oc3ccccc3)cnn(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C27H26N4O4/c1-34-16-15-28-26(32)21-11-8-12-22(17-21)30-25-24(35-23-13-6-3-7-14-23)18-29-31(27(25)33)19-20-9-4-2-5-10-20/h2-14,17-18,30H,15-16,19H2,1H3,(H,28,32)
InChIKeyZGDGHXXXBGAMCS-UHFFFAOYSA-N
XLogP4.20
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide 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-benzyl-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 42835307
2-benzyl-5-phenoxy-4-[3-(piperidine-1-carbonyl)anilino]pyridazin-3-one
CID 46149320
3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 42835292
4-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 46002819
3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-methylpropyl)benzamide
CID 42830831
3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 83283817
3-[[5-(4-chlorophenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide
CID 42830823
3-[[2-(2-chlorophenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide
CID 46003507
4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide
CID 42831437
N-butan-2-yl-3-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42833436
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide
CID 46146590

Frequently Asked Questions

What is the IUPAC name of 3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide (CID 46002805) is 3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(Nc2c(Oc3ccccc3)cnn(Cc3ccccc3)c2=O)c1.
What is the InChIKey of 3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is ZGDGHXXXBGAMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-34-16-15-28-26(32)21-11-8-12-22(17-21)30-25-24(35-23-13-6-3-7-14-23)18-29-31(27(25)33)19-20-9-4-2-5-10-20/h2-14,17-18,30H,15-16,19H2,1H3,(H,28,32).
What are the key properties of 3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide?
3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 470.53 g/mol, XLogP of 4.20, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 46002805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).