3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide

C20H25N3O3 — CID 118773753

IUPAC3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCCCCC3CCCO3)c2)nn1
InChIInChI=1S/C20H25N3O3/c1-25-19-11-10-18(22-23-19)15-6-4-7-16(14-15)20(24)21-12-3-2-8-17-9-5-13-26-17/h4,6-7,10-11,14,17H,2-3,5,8-9,12-13H2,1H3,(H,21,24)
InChIKeyMXXDLCCMFGZLBB-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.23
Rot. Bonds8

About 3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide

3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide (PubChem CID 118773753) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide.

Molecular Properties

Compound Name3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
PubChem CID118773753
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCCCCC3CCCO3)c2)nn1
InChIInChI=1S/C20H25N3O3/c1-25-19-11-10-18(22-23-19)15-6-4-7-16(14-15)20(24)21-12-3-2-8-17-9-5-13-26-17/h4,6-7,10-11,14,17H,2-3,5,8-9,12-13H2,1H3,(H,21,24)
InChIKeyMXXDLCCMFGZLBB-UHFFFAOYSA-N
XLogP3.23
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]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

3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide
CID 122556166
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882471
3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126450624
3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118788734
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000
3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126424383
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide
CID 134802663
2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
CID 131899729
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125436416

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide?
The IUPAC name of 3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide (CID 118773753) is 3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide.
What is the SMILES notation for 3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide?
The canonical SMILES for 3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide is COc1ccc(-c2cccc(C(=O)NCCCCC3CCCO3)c2)nn1.
What is the InChIKey of 3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide?
The InChIKey is MXXDLCCMFGZLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-19-11-10-18(22-23-19)15-6-4-7-16(14-15)20(24)21-12-3-2-8-17-9-5-13-26-17/h4,6-7,10-11,14,17H,2-3,5,8-9,12-13H2,1H3,(H,21,24).
What are the key properties of 3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide?
3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide is sourced from PubChem (CID 118773753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).