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

C17H22N4O2 — CID 113044524

IUPAC4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCCC(C)C)nn2)cc1
InChIInChI=1S/C17H22N4O2/c1-12(2)10-11-18-15-8-9-16(21-20-15)19-17(22)13-4-6-14(23-3)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyMISUOWZTNROGFL-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.20
Rot. Bonds7

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

4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide (PubChem CID 113044524) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
PubChem CID113044524
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCCC(C)C)nn2)cc1
InChIInChI=1S/C17H22N4O2/c1-12(2)10-11-18-15-8-9-16(21-20-15)19-17(22)13-4-6-14(23-3)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyMISUOWZTNROGFL-UHFFFAOYSA-N
XLogP3.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044515
3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044532
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide
CID 113038582
4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041179
4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041085
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide
CID 113039421
2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044513
2,2-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]propanamide
CID 113044508
N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide
CID 113044161
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide (CID 113044524) is 4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide is COc1ccc(C(=O)Nc2ccc(NCCC(C)C)nn2)cc1.
What is the InChIKey of 4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
The InChIKey is MISUOWZTNROGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(2)10-11-18-15-8-9-16(21-20-15)19-17(22)13-4-6-14(23-3)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of 4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113044524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).