1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea

C19H16N4O4 — CID 43991227

IUPAC1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
SMILESCOc1ccc(-c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)nn1
InChIInChI=1S/C19H16N4O4/c1-25-18-9-7-15(22-23-18)12-2-4-13(5-3-12)20-19(24)21-14-6-8-16-17(10-14)27-11-26-16/h2-10H,11H2,1H3,(H2,20,21,24)
InChIKeyMDPKGCHDZIGWEI-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.52
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea

1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea (PubChem CID 43991227) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
PubChem CID43991227
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
SMILESCOc1ccc(-c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)nn1
InChIInChI=1S/C19H16N4O4/c1-25-18-9-7-15(22-23-18)12-2-4-13(5-3-12)20-19(24)21-14-6-8-16-17(10-14)27-11-26-16/h2-10H,11H2,1H3,(H2,20,21,24)
InChIKeyMDPKGCHDZIGWEI-UHFFFAOYSA-N
XLogP3.52
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992554
1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991234
1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
CID 14545057
1-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)urea
CID 6466543
1-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylphenyl)urea
CID 46860083
1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethoxyphenyl)urea
CID 17378931
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 17378932
1-(1,3-benzodioxol-5-yl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991826
(3S)-N-(1,3-benzodioxol-5-yl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30866144
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387014
1-(1,3-benzodioxol-5-yl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971485

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea (CID 43991227) is 1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea is COc1ccc(-c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)nn1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
The InChIKey is MDPKGCHDZIGWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-25-18-9-7-15(22-23-18)12-2-4-13(5-3-12)20-19(24)21-14-6-8-16-17(10-14)27-11-26-16/h2-10H,11H2,1H3,(H2,20,21,24).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea?
1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea has a molecular weight of 364.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 43991227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).