4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide

C19H20N6O2 — CID 122327312

IUPAC4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)cc1
InChIInChI=1S/C19H20N6O2/c1-13-9-12-25(24-13)18-8-7-17(22-23-18)20-10-11-21-19(27)16-5-3-15(4-6-16)14(2)26/h3-9,12H,10-11H2,1-2H3,(H,20,22)(H,21,27)
InChIKeyFCKOWAFFPZXCMG-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.02
Rot. Bonds7

About 4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide

4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide (PubChem CID 122327312) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
PubChem CID122327312
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)cc1
InChIInChI=1S/C19H20N6O2/c1-13-9-12-25(24-13)18-8-7-17(22-23-18)20-10-11-21-19(27)16-5-3-15(4-6-16)14(2)26/h3-9,12H,10-11H2,1-2H3,(H,20,22)(H,21,27)
InChIKeyFCKOWAFFPZXCMG-UHFFFAOYSA-N
XLogP2.02
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]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

N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122327155
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-thiophen-2-ylbenzamide
CID 122327261
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]indolizine-2-carboxamide
CID 122327290
2,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 70703293
2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122327307
6-cyclopentyloxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-3-carboxamide
CID 122327303
1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654396
N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide
CID 133290911
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide
CID 122327152
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-oxochromene-3-carboxamide
CID 122327100
2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327239

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?
The IUPAC name of 4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide (CID 122327312) is 4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide is CC(=O)c1ccc(C(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)cc1.
What is the InChIKey of 4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?
The InChIKey is FCKOWAFFPZXCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-13-9-12-25(24-13)18-8-7-17(22-23-18)20-10-11-21-19(27)16-5-3-15(4-6-16)14(2)26/h3-9,12H,10-11H2,1-2H3,(H,20,22)(H,21,27).
What are the key properties of 4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?
4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide has a molecular weight of 364.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide is sourced from PubChem (CID 122327312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).