3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea

C26H30N6O2 — CID 24732225

IUPAC3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(Cc2cccnc2)C2CCN(c3nc(C)cc(C)n3)CC2)c1
InChIInChI=1S/C26H30N6O2/c1-18-14-19(2)29-25(28-18)31-12-9-24(10-13-31)32(17-21-6-5-11-27-16-21)26(34)30-23-8-4-7-22(15-23)20(3)33/h4-8,11,14-16,24H,9-10,12-13,17H2,1-3H3,(H,30,34)
InChIKeyFGLXLVGDYAARPV-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.39
Rot. Bonds6

About 3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea

3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea (PubChem CID 24732225) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea
PubChem CID24732225
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(Cc2cccnc2)C2CCN(c3nc(C)cc(C)n3)CC2)c1
InChIInChI=1S/C26H30N6O2/c1-18-14-19(2)29-25(28-18)31-12-9-24(10-13-31)32(17-21-6-5-11-27-16-21)26(34)30-23-8-4-7-22(15-23)20(3)33/h4-8,11,14-16,24H,9-10,12-13,17H2,1-3H3,(H,30,34)
InChIKeyFGLXLVGDYAARPV-UHFFFAOYSA-N
XLogP4.39
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 52662096
3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
CID 24732177
1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea
CID 126785941
1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea
CID 118795485
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 60765143
1-(3-acetylphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 970859
3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea
CID 102675463
N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide
CID 24732101
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371046
3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24732608

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea (CID 24732225) is 3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea is CC(=O)c1cccc(NC(=O)N(Cc2cccnc2)C2CCN(c3nc(C)cc(C)n3)CC2)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea?
The InChIKey is FGLXLVGDYAARPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-18-14-19(2)29-25(28-18)31-12-9-24(10-13-31)32(17-21-6-5-11-27-16-21)26(34)30-23-8-4-7-22(15-23)20(3)33/h4-8,11,14-16,24H,9-10,12-13,17H2,1-3H3,(H,30,34).
What are the key properties of 3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea?
3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea has a molecular weight of 458.57 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 24732225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).