N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide

C21H21N3O4 — CID 7593665

IUPACN-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide
SMILESCCOc1ccc(-c2ccc(NC(=O)c3cccc(OC)c3OC)cc2)nn1
InChIInChI=1S/C21H21N3O4/c1-4-28-19-13-12-17(23-24-19)14-8-10-15(11-9-14)22-21(25)16-6-5-7-18(26-2)20(16)27-3/h5-13H,4H2,1-3H3,(H,22,25)
InChIKeyGPALWJSOTCXGHT-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.81
Rot. Bonds7

About N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide

N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide (PubChem CID 7593665) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide
PubChem CID7593665
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide
SMILESCCOc1ccc(-c2ccc(NC(=O)c3cccc(OC)c3OC)cc2)nn1
InChIInChI=1S/C21H21N3O4/c1-4-28-19-13-12-17(23-24-19)14-8-10-15(11-9-14)22-21(25)16-6-5-7-18(26-2)20(16)27-3/h5-13H,4H2,1-3H3,(H,22,25)
InChIKeyGPALWJSOTCXGHT-UHFFFAOYSA-N
XLogP3.81
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-ethoxypyridazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 7593667
2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide
CID 7593638
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-4-methylbenzamide
CID 7593660
1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea
CID 43991078
3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide
CID 7596485
2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 41089392
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide
CID 41089435
4-ethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593586
2-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593562
1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
CID 43991114
2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
CID 42474486

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide (CID 7593665) is N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide is CCOc1ccc(-c2ccc(NC(=O)c3cccc(OC)c3OC)cc2)nn1.
What is the InChIKey of N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide?
The InChIKey is GPALWJSOTCXGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-4-28-19-13-12-17(23-24-19)14-8-10-15(11-9-14)22-21(25)16-6-5-7-18(26-2)20(16)27-3/h5-13H,4H2,1-3H3,(H,22,25).
What are the key properties of N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide?
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide has a molecular weight of 379.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 7593665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).