1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea

C20H20N4O2 — CID 43991234

IUPAC1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
SMILESCCc1ccccc1NC(=O)Nc1ccc(-c2ccc(OC)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-3-14-6-4-5-7-17(14)22-20(25)21-16-10-8-15(9-11-16)18-12-13-19(26-2)24-23-18/h4-13H,3H2,1-2H3,(H2,21,22,25)
InChIKeyINCXXJDEDLQZCE-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.36
Rot. Bonds5

About 1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea

1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea (PubChem CID 43991234) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
PubChem CID43991234
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
SMILESCCc1ccccc1NC(=O)Nc1ccc(-c2ccc(OC)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-3-14-6-4-5-7-17(14)22-20(25)21-16-10-8-15(9-11-16)18-12-13-19(26-2)24-23-18/h4-13H,3H2,1-2H3,(H2,21,22,25)
InChIKeyINCXXJDEDLQZCE-UHFFFAOYSA-N
XLogP4.36
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea
CID 43991078
1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991264
2-methoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide
CID 134803095
1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991227
1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991272
1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
CID 43991114
2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 41089392
1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991246
2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide
CID 43991201
2-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593562
1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
CID 43991121
4-ethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593586

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea (CID 43991234) is 1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea is CCc1ccccc1NC(=O)Nc1ccc(-c2ccc(OC)nn2)cc1.
What is the InChIKey of 1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
The InChIKey is INCXXJDEDLQZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-14-6-4-5-7-17(14)22-20(25)21-16-10-8-15(9-11-16)18-12-13-19(26-2)24-23-18/h4-13H,3H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea has a molecular weight of 348.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 43991234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).