1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea

C20H20N4O2 — CID 56920163

IUPAC1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
SMILESCCc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1
InChIInChI=1S/C20H20N4O2/c1-3-15-5-7-16(8-6-15)21-20(25)22-17-9-11-18(12-10-17)26-19-13-4-14(2)23-24-19/h4-13H,3H2,1-2H3,(H2,21,22,25)
InChIKeyQNIPWEDKENVAFU-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.78
Rot. Bonds5

About 1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea

1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea (PubChem CID 56920163) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
PubChem CID56920163
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
SMILESCCc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1
InChIInChI=1S/C20H20N4O2/c1-3-15-5-7-16(8-6-15)21-20(25)22-17-9-11-18(12-10-17)26-19-13-4-14(2)23-24-19/h4-13H,3H2,1-2H3,(H2,21,22,25)
InChIKeyQNIPWEDKENVAFU-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
CID 56920749
1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306208
N-(4-ethylphenyl)-6-methylpyridazine-3-carboxamide
CID 110705292
5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid
CID 138043271
4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305793
1-[(2S,6R)-2,6-dimethylcyclohexyl]-1-methyl-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
CID 99812237
N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide
CID 70703281
4-(6-methylpyridazin-3-yl)oxybenzamide
CID 175939264
4-(6-methylpyridazin-3-yl)oxyphenol
CID 61312729
1-(4-ethylphenyl)-3-methylurea
CID 54250791
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea?
The IUPAC name of 1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea (CID 56920163) is 1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea is CCc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea?
The InChIKey is QNIPWEDKENVAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-15-5-7-16(8-6-15)21-20(25)22-17-9-11-18(12-10-17)26-19-13-4-14(2)23-24-19/h4-13H,3H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea?
1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea has a molecular weight of 348.41 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea is sourced from PubChem (CID 56920163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).