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

C17H22N4O — CID 113044515

IUPAC4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCCC(C)C)nn2)cc1
InChIInChI=1S/C17H22N4O/c1-12(2)10-11-18-15-8-9-16(21-20-15)19-17(22)14-6-4-13(3)5-7-14/h4-9,12H,10-11H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyPGYLWRJJPDWFFO-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.50
Rot. Bonds6

About 4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide

4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide (PubChem CID 113044515) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
PubChem CID113044515
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCCC(C)C)nn2)cc1
InChIInChI=1S/C17H22N4O/c1-12(2)10-11-18-15-8-9-16(21-20-15)19-17(22)14-6-4-13(3)5-7-14/h4-9,12H,10-11H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyPGYLWRJJPDWFFO-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

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Related Compounds

4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044524
4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide
CID 113030264
2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044513
4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042323
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044532
2,2-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]propanamide
CID 113044508
4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044092
N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide
CID 113038445
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113038053
4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide
CID 113039421
N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113038491

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide (CID 113044515) is 4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide is Cc1ccc(C(=O)Nc2ccc(NCCC(C)C)nn2)cc1.
What is the InChIKey of 4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
The InChIKey is PGYLWRJJPDWFFO-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)14-6-4-13(3)5-7-14/h4-9,12H,10-11H2,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of 4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
4-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 4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113044515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).