N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide

C17H22N4O — CID 113038336

IUPACN-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
SMILESCCCCNc1ccc(NC(=O)c2ccc(C)c(C)c2)nn1
InChIInChI=1S/C17H22N4O/c1-4-5-10-18-15-8-9-16(21-20-15)19-17(22)14-7-6-12(2)13(3)11-14/h6-9,11H,4-5,10H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyQTHHGDFDIRUXLG-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.56
Rot. Bonds6

About N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide

N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide (PubChem CID 113038336) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
PubChem CID113038336
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
SMILESCCCCNc1ccc(NC(=O)c2ccc(C)c(C)c2)nn1
InChIInChI=1S/C17H22N4O/c1-4-5-10-18-15-8-9-16(21-20-15)19-17(22)14-7-6-12(2)13(3)11-14/h6-9,11H,4-5,10H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyQTHHGDFDIRUXLG-UHFFFAOYSA-N
XLogP3.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide 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-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113038339
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide
CID 113038340
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113042585
N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113044676
3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044658
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113040656
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113041686
N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038324
N-[6-(pentylamino)pyridazin-3-yl]propanamide
CID 113044628
N'-butyl-3,4-dimethylbenzohydrazide
CID 162213335
3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051729

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide (CID 113038336) is N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide is CCCCNc1ccc(NC(=O)c2ccc(C)c(C)c2)nn1.
What is the InChIKey of N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide?
The InChIKey is QTHHGDFDIRUXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-5-10-18-15-8-9-16(21-20-15)19-17(22)14-7-6-12(2)13(3)11-14/h6-9,11H,4-5,10H2,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide?
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113038336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).