1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea

C21H22N4O2 — CID 43991121

IUPAC1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
SMILESCCOc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3C)cc2)nn1
InChIInChI=1S/C21H22N4O2/c1-4-27-20-12-11-18(24-25-20)16-7-9-17(10-8-16)22-21(26)23-19-13-14(2)5-6-15(19)3/h5-13H,4H2,1-3H3,(H2,22,23,26)
InChIKeyCLAPBKCWDAEIRB-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.80
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea

1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea (PubChem CID 43991121) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
PubChem CID43991121
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
SMILESCCOc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3C)cc2)nn1
InChIInChI=1S/C21H22N4O2/c1-4-27-20-12-11-18(24-25-20)16-7-9-17(10-8-16)22-21(26)23-19-13-14(2)5-6-15(19)3/h5-13H,4H2,1-3H3,(H2,22,23,26)
InChIKeyCLAPBKCWDAEIRB-UHFFFAOYSA-N
XLogP4.80
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.80
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
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-4-methylbenzamide
CID 7593660
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 43991013
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide
CID 41089435
3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide
CID 7596485
1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 168974118
1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
CID 108869298
1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991234
(2S)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670506
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 7593667
2-(4-chlorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide
CID 8670504
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea (CID 43991121) is 1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea is CCOc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3C)cc2)nn1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea?
The InChIKey is CLAPBKCWDAEIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-27-20-12-11-18(24-25-20)16-7-9-17(10-8-16)22-21(26)23-19-13-14(2)5-6-15(19)3/h5-13H,4H2,1-3H3,(H2,22,23,26).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea?
1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea has a molecular weight of 362.43 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 43991121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).