1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea

C24H27N5O — CID 43991572

IUPAC1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
SMILESCc1ccccc1NC(=O)Nc1cccc(-c2ccc(N3CCC(C)CC3)nn2)c1
InChIInChI=1S/C24H27N5O/c1-17-12-14-29(15-13-17)23-11-10-22(27-28-23)19-7-5-8-20(16-19)25-24(30)26-21-9-4-3-6-18(21)2/h3-11,16-17H,12-15H2,1-2H3,(H2,25,26,30)
InChIKeyFOJGGWZUEIWHGE-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.33
Rot. Bonds4

About 1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea

1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea (PubChem CID 43991572) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
PubChem CID43991572
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
SMILESCc1ccccc1NC(=O)Nc1cccc(-c2ccc(N3CCC(C)CC3)nn2)c1
InChIInChI=1S/C24H27N5O/c1-17-12-14-29(15-13-17)23-11-10-22(27-28-23)19-7-5-8-20(16-19)25-24(30)26-21-9-4-3-6-18(21)2/h3-11,16-17H,12-15H2,1-2H3,(H2,25,26,30)
InChIKeyFOJGGWZUEIWHGE-UHFFFAOYSA-N
XLogP5.33
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43991595
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43991300
1-(4-ethoxyphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43991571
2,2,2-trifluoro-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 7422385
3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077581
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(2,5-dimethylphenyl)urea
CID 43991451
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide
CID 43991523
1-(5-chloro-2-methylphenyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991715
2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077570
1-(5-chloro-2-methylphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991851
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(5-chloro-2-methylphenyl)urea
CID 43991445
2-(3,5-dimethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43991537

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea (CID 43991572) is 1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea is Cc1ccccc1NC(=O)Nc1cccc(-c2ccc(N3CCC(C)CC3)nn2)c1.
What is the InChIKey of 1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea?
The InChIKey is FOJGGWZUEIWHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-17-12-14-29(15-13-17)23-11-10-22(27-28-23)19-7-5-8-20(16-19)25-24(30)26-21-9-4-3-6-18(21)2/h3-11,16-17H,12-15H2,1-2H3,(H2,25,26,30).
What are the key properties of 1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea?
1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea has a molecular weight of 401.51 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea is sourced from PubChem (CID 43991572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).