1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea

C24H27N5O — CID 43992699

IUPAC1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c(C)c1
InChIInChI=1S/C24H27N5O/c1-17-6-11-21(18(2)16-17)26-24(30)25-20-9-7-19(8-10-20)22-12-13-23(28-27-22)29-14-4-3-5-15-29/h6-13,16H,3-5,14-15H2,1-2H3,(H2,25,26,30)
InChIKeyKTFCAWHKPDOLSM-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.39
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea (PubChem CID 43992699) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
PubChem CID43992699
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c(C)c1
InChIInChI=1S/C24H27N5O/c1-17-6-11-21(18(2)16-17)26-24(30)25-20-9-7-19(8-10-20)22-12-13-23(28-27-22)29-14-4-3-5-15-29/h6-13,16H,3-5,14-15H2,1-2H3,(H2,25,26,30)
InChIKeyKTFCAWHKPDOLSM-UHFFFAOYSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(2,5-dimethylphenyl)urea
CID 43991451
1-(2,4-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992686
1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992543
1-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(2,5-dichlorophenyl)urea
CID 43992316
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
3-methyl-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670441
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 41077843
1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 43992565
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992587
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 43992652
1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992738

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea (CID 43992699) is 1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea is Cc1ccc(NC(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea?
The InChIKey is KTFCAWHKPDOLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-17-6-11-21(18(2)16-17)26-24(30)25-20-9-7-19(8-10-20)22-12-13-23(28-27-22)29-14-4-3-5-15-29/h6-13,16H,3-5,14-15H2,1-2H3,(H2,25,26,30).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea?
1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea has a molecular weight of 401.51 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 43992699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).