2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide

C16H19N3O2 — CID 54523025

IUPAC2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide
SMILESCCCCOc1c(C)cccc1C(=O)Nc1cccnn1
InChIInChI=1S/C16H19N3O2/c1-3-4-11-21-15-12(2)7-5-8-13(15)16(20)18-14-9-6-10-17-19-14/h5-10H,3-4,11H2,1-2H3,(H,18,19,20)
InChIKeyYREHWGIKKNJYMZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.22
Rot. Bonds6

About 2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide

2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide (PubChem CID 54523025) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide.

Molecular Properties

Compound Name2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide
PubChem CID54523025
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide
SMILESCCCCOc1c(C)cccc1C(=O)Nc1cccnn1
InChIInChI=1S/C16H19N3O2/c1-3-4-11-21-15-12(2)7-5-8-13(15)16(20)18-14-9-6-10-17-19-14/h5-10H,3-4,11H2,1-2H3,(H,18,19,20)
InChIKeyYREHWGIKKNJYMZ-UHFFFAOYSA-N
XLogP3.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide?
The IUPAC name of 2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide (CID 54523025) is 2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide.
What is the SMILES notation for 2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide?
The canonical SMILES for 2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide is CCCCOc1c(C)cccc1C(=O)Nc1cccnn1.
What is the InChIKey of 2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide?
The InChIKey is YREHWGIKKNJYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-4-11-21-15-12(2)7-5-8-13(15)16(20)18-14-9-6-10-17-19-14/h5-10H,3-4,11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide?
2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide is sourced from PubChem (CID 54523025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).