4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide

C18H24N4O2 — CID 113039421

IUPAC4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide
SMILESCOCCNc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)14-7-5-13(6-8-14)17(23)20-16-10-9-15(21-22-16)19-11-12-24-4/h5-10H,11-12H2,1-4H3,(H,19,21)(H,20,22,23)
InChIKeyNQVDCJXJMWVQJQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.08
Rot. Bonds6

About 4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide

4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide (PubChem CID 113039421) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide
PubChem CID113039421
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide
SMILESCOCCNc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)14-7-5-13(6-8-14)17(23)20-16-10-9-15(21-22-16)19-11-12-24-4/h5-10H,11-12H2,1-4H3,(H,19,21)(H,20,22,23)
InChIKeyNQVDCJXJMWVQJQ-UHFFFAOYSA-N
XLogP3.08
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]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

4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide
CID 113025045
N-[6-(2-methoxyethylamino)pyridazin-3-yl]propanamide
CID 113039391
2-ethyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]butanamide
CID 113039400
4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044524
4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
CID 113038068
1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea
CID 113039466
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide
CID 113039930
4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044515
2-(2-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide
CID 113039450

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide (CID 113039421) is 4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide is COCCNc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)nn1.
What is the InChIKey of 4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide?
The InChIKey is NQVDCJXJMWVQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(2,3)14-7-5-13(6-8-14)17(23)20-16-10-9-15(21-22-16)19-11-12-24-4/h5-10H,11-12H2,1-4H3,(H,19,21)(H,20,22,23).
What are the key properties of 4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide?
4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide has a molecular weight of 328.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113039421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).