3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide

C23H25N3O3 — CID 46387077

IUPAC3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide
SMILESCOc1cccc(Oc2ccc(-c3cccc(C(=O)NCCC(C)C)c3)nn2)c1
InChIInChI=1S/C23H25N3O3/c1-16(2)12-13-24-23(27)18-7-4-6-17(14-18)21-10-11-22(26-25-21)29-20-9-5-8-19(15-20)28-3/h4-11,14-16H,12-13H2,1-3H3,(H,24,27)
InChIKeyNICUENZZIPANDQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.72
Rot. Bonds8

About 3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide

3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide (PubChem CID 46387077) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide
PubChem CID46387077
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide
SMILESCOc1cccc(Oc2ccc(-c3cccc(C(=O)NCCC(C)C)c3)nn2)c1
InChIInChI=1S/C23H25N3O3/c1-16(2)12-13-24-23(27)18-7-4-6-17(14-18)21-10-11-22(26-25-21)29-20-9-5-8-19(15-20)28-3/h4-11,14-16H,12-13H2,1-3H3,(H,24,27)
InChIKeyNICUENZZIPANDQ-UHFFFAOYSA-N
XLogP4.72
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387080
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 46387069
N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 92882452
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide
CID 46387049
3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide
CID 134802663
3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
CID 118763050
4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide
CID 1228530
N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46386955
N-(3-bromo-4-methoxybutyl)-3-methoxybenzamide
CID 114163322
3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide (CID 46387077) is 3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide is COc1cccc(Oc2ccc(-c3cccc(C(=O)NCCC(C)C)c3)nn2)c1.
What is the InChIKey of 3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide?
The InChIKey is NICUENZZIPANDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(2)12-13-24-23(27)18-7-4-6-17(14-18)21-10-11-22(26-25-21)29-20-9-5-8-19(15-20)28-3/h4-11,14-16H,12-13H2,1-3H3,(H,24,27).
What are the key properties of 3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide?
3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 46387077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).