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

C24H27N5O3 — CID 43992738

IUPAC1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
SMILESCOc1cccc(OC)c1NC(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1
InChIInChI=1S/C24H27N5O3/c1-31-20-7-6-8-21(32-2)23(20)26-24(30)25-18-11-9-17(10-12-18)19-13-14-22(28-27-19)29-15-4-3-5-16-29/h6-14H,3-5,15-16H2,1-2H3,(H2,25,26,30)
InChIKeyMKCBZEMFGWXGHL-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.80
Rot. Bonds6

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

1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea (PubChem CID 43992738) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
PubChem CID43992738
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
SMILESCOc1cccc(OC)c1NC(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1
InChIInChI=1S/C24H27N5O3/c1-31-20-7-6-8-21(32-2)23(20)26-24(30)25-18-11-9-17(10-12-18)19-13-14-22(28-27-19)29-15-4-3-5-16-29/h6-14H,3-5,15-16H2,1-2H3,(H2,25,26,30)
InChIKeyMKCBZEMFGWXGHL-UHFFFAOYSA-N
XLogP4.80
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694
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-(2-methoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991819
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(3-methoxyphenyl)urea
CID 43991414
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 43992220
2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593239
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-phenylurea
CID 43991408
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 43992265
1-(2,4-dimethoxyphenyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991686
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(4-propan-2-ylphenyl)urea
CID 43991446
1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992699

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea (CID 43992738) is 1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea is COc1cccc(OC)c1NC(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea?
The InChIKey is MKCBZEMFGWXGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-31-20-7-6-8-21(32-2)23(20)26-24(30)25-18-11-9-17(10-12-18)19-13-14-22(28-27-19)29-15-4-3-5-16-29/h6-14H,3-5,15-16H2,1-2H3,(H2,25,26,30).
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea?
1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea has a molecular weight of 433.51 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 43992738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).