2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide

C17H22N4O — CID 113044513

IUPAC2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NCCC(C)C)nn1
InChIInChI=1S/C17H22N4O/c1-12(2)10-11-18-15-8-9-16(21-20-15)19-17(22)14-7-5-4-6-13(14)3/h4-9,12H,10-11H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyCLXUKUJYQUBMOY-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.50
Rot. Bonds6

About 2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide

2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide (PubChem CID 113044513) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
PubChem CID113044513
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NCCC(C)C)nn1
InChIInChI=1S/C17H22N4O/c1-12(2)10-11-18-15-8-9-16(21-20-15)19-17(22)14-7-5-4-6-13(14)3/h4-9,12H,10-11H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyCLXUKUJYQUBMOY-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[6-(3-methylbutylamino)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-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044515
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041168
2,2-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]propanamide
CID 113044508
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044524
3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044532
N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125175
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125184
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150908
N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide
CID 113038445
N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125187

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide (CID 113044513) is 2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide is Cc1ccccc1C(=O)Nc1ccc(NCCC(C)C)nn1.
What is the InChIKey of 2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
The InChIKey is CLXUKUJYQUBMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)10-11-18-15-8-9-16(21-20-15)19-17(22)14-7-5-4-6-13(14)3/h4-9,12H,10-11H2,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of 2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113044513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).