3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide

C23H25N3O4 — CID 7596485

IUPAC3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide
SMILESCCOc1ccc(-c2ccc(NC(=O)c3ccc(OCC)c(OCC)c3)cc2)nn1
InChIInChI=1S/C23H25N3O4/c1-4-28-20-13-9-17(15-21(20)29-5-2)23(27)24-18-10-7-16(8-11-18)19-12-14-22(26-25-19)30-6-3/h7-15H,4-6H2,1-3H3,(H,24,27)
InChIKeyLGYWOVDKVOHINC-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.59
Rot. Bonds9

About 3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide

3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide (PubChem CID 7596485) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide
PubChem CID7596485
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide
SMILESCCOc1ccc(-c2ccc(NC(=O)c3ccc(OCC)c(OCC)c3)cc2)nn1
InChIInChI=1S/C23H25N3O4/c1-4-28-20-13-9-17(15-21(20)29-5-2)23(27)24-18-10-7-16(8-11-18)19-12-14-22(26-25-19)30-6-3/h7-15H,4-6H2,1-3H3,(H,24,27)
InChIKeyLGYWOVDKVOHINC-UHFFFAOYSA-N
XLogP4.59
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-ethoxypyridazin-3-yl)phenyl]-4-methylbenzamide
CID 7593660
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 7593667
4-ethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593586
1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea
CID 43991078
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide
CID 41089435
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide
CID 7593665
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 41213117
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methoxybenzamide
CID 7422519
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide (CID 7596485) is 3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide is CCOc1ccc(-c2ccc(NC(=O)c3ccc(OCC)c(OCC)c3)cc2)nn1.
What is the InChIKey of 3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide?
The InChIKey is LGYWOVDKVOHINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-28-20-13-9-17(15-21(20)29-5-2)23(27)24-18-10-7-16(8-11-18)19-12-14-22(26-25-19)30-6-3/h7-15H,4-6H2,1-3H3,(H,24,27).
What are the key properties of 3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide?
3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7596485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).