1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

C25H30N6O — CID 133294107

IUPAC1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
SMILESCCc1cc(N2CCCC(CNC(=O)Nc3ccc(C)cc3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C25H30N6O/c1-3-21-15-23(30-24(28-21)20-10-12-26-13-11-20)31-14-4-5-19(17-31)16-27-25(32)29-22-8-6-18(2)7-9-22/h6-13,15,19H,3-5,14,16-17H2,1-2H3,(H2,27,29,32)
InChIKeyFFGZAGWJZKREKM-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.45
Rot. Bonds6

About 1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea (PubChem CID 133294107) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
PubChem CID133294107
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
SMILESCCc1cc(N2CCCC(CNC(=O)Nc3ccc(C)cc3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C25H30N6O/c1-3-21-15-23(30-24(28-21)20-10-12-26-13-11-20)31-14-4-5-19(17-31)16-27-25(32)29-22-8-6-18(2)7-9-22/h6-13,15,19H,3-5,14,16-17H2,1-2H3,(H2,27,29,32)
InChIKeyFFGZAGWJZKREKM-UHFFFAOYSA-N
XLogP4.45
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)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

[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 133294152
3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133294209
1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea
CID 124559977
4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6-ethyl-2-pyridin-4-ylpyrimidine
CID 133295012
4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133308307
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
1-(4-methylphenyl)-3-[[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methyl]urea
CID 51134808
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 133294122
4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295037
1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71564056
2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide
CID 133355905

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea (CID 133294107) is 1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea is CCc1cc(N2CCCC(CNC(=O)Nc3ccc(C)cc3)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea?
The InChIKey is FFGZAGWJZKREKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-3-21-15-23(30-24(28-21)20-10-12-26-13-11-20)31-14-4-5-19(17-31)16-27-25(32)29-22-8-6-18(2)7-9-22/h6-13,15,19H,3-5,14,16-17H2,1-2H3,(H2,27,29,32).
What are the key properties of 1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea?
1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea has a molecular weight of 430.56 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 133294107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).