3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide

C17H19N3O3 — CID 118765665

IUPAC3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NC3CCOCC3)c2)nn1
InChIInChI=1S/C17H19N3O3/c1-22-16-6-5-15(19-20-16)12-3-2-4-13(11-12)17(21)18-14-7-9-23-10-8-14/h2-6,11,14H,7-10H2,1H3,(H,18,21)
InChIKeyVLMUCKBIMAGUKO-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.06
Rot. Bonds4

About 3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide

3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide (PubChem CID 118765665) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide
PubChem CID118765665
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NC3CCOCC3)c2)nn1
InChIInChI=1S/C17H19N3O3/c1-22-16-6-5-15(19-20-16)12-3-2-4-13(11-12)17(21)18-14-7-9-23-10-8-14/h2-6,11,14H,7-10H2,1H3,(H,18,21)
InChIKeyVLMUCKBIMAGUKO-UHFFFAOYSA-N
XLogP2.06
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide
CID 18438700
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide
CID 155557555
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134800971
N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801622
N-[(4-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134802190
3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134803949
4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593565
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-fluorobenzamide
CID 7593628
N-(2-{[6-(4-methoxyphenyl)pyridazin-3-yl]oxy}ethyl)-3-(trifluoromethyl)benzamide
CID 8701814
2-(4-fluorophenyl)-N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)acetamide
CID 41527722
N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)-2-naphthamide
CID 41527745
N-(4-fluorobenzyl)-3-((6-methylpyridazin-3-yl)oxy)benzamide
CID 52416946

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide?
The IUPAC name of 3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide (CID 118765665) is 3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide?
The canonical SMILES for 3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide is COc1ccc(-c2cccc(C(=O)NC3CCOCC3)c2)nn1.
What is the InChIKey of 3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide?
The InChIKey is VLMUCKBIMAGUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-16-6-5-15(19-20-16)12-3-2-4-13(11-12)17(21)18-14-7-9-23-10-8-14/h2-6,11,14H,7-10H2,1H3,(H,18,21).
What are the key properties of 3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide?
3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide has a molecular weight of 313.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypyridazin-3-yl)-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 118765665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).