1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea

C19H18N4O2 — CID 43991078

IUPAC1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea
SMILESCCOc1ccc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nn1
InChIInChI=1S/C19H18N4O2/c1-2-25-18-13-12-17(22-23-18)14-8-10-16(11-9-14)21-19(24)20-15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H2,20,21,24)
InChIKeyAAZAGTLDIVKHKW-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.19
Rot. Bonds5

About 1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea

1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea (PubChem CID 43991078) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea
PubChem CID43991078
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea
SMILESCCOc1ccc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nn1
InChIInChI=1S/C19H18N4O2/c1-2-25-18-13-12-17(22-23-18)14-8-10-16(11-9-14)21-19(24)20-15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H2,20,21,24)
InChIKeyAAZAGTLDIVKHKW-UHFFFAOYSA-N
XLogP4.19
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide
CID 41089435
(2S)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670506
1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
CID 43991121
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-4-methylbenzamide
CID 7593660
1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991234
1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
CID 43991114
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 43991013
3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide
CID 7596485
2-(4-chlorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide
CID 8670504
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 7593667
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide
CID 7593665
(2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670486

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea (CID 43991078) is 1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea is CCOc1ccc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nn1.
What is the InChIKey of 1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea?
The InChIKey is AAZAGTLDIVKHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-25-18-13-12-17(22-23-18)14-8-10-16(11-9-14)21-19(24)20-15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H2,20,21,24).
What are the key properties of 1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea?
1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea has a molecular weight of 334.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 43991078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).