3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile

C23H23N5O — CID 133294715

IUPAC3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile
SMILESCCc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H23N5O/c1-2-18-15-22(27-23(26-18)21-8-3-4-11-25-21)28-12-9-19(10-13-28)29-20-7-5-6-17(14-20)16-24/h3-8,11,14-15,19H,2,9-10,12-13H2,1H3
InChIKeyKYNIDUXHZQUZPI-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.02
Rot. Bonds5

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

3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile (PubChem CID 133294715) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile
PubChem CID133294715
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile
SMILESCCc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H23N5O/c1-2-18-15-22(27-23(26-18)21-8-3-4-11-25-21)28-12-9-19(10-13-28)29-20-7-5-6-17(14-20)16-24/h3-8,11,14-15,19H,2,9-10,12-13H2,1H3
InChIKeyKYNIDUXHZQUZPI-UHFFFAOYSA-N
XLogP4.02
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine
CID 133295051
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-(6-methylpyridazin-3-yl)-1,4-diazepane
CID 133294829
[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 133290790
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane
CID 133394955
4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
CID 58137077
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133291472
3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 133290956
4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine
CID 133348256
3-[1-(3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxybenzonitrile
CID 177019982
8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 133298055
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133462129
3-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]oxybenzonitrile
CID 22031328

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile?
The IUPAC name of 3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile (CID 133294715) is 3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile?
The canonical SMILES for 3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile is CCc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)nc(-c2ccccn2)n1.
What is the InChIKey of 3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile?
The InChIKey is KYNIDUXHZQUZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-2-18-15-22(27-23(26-18)21-8-3-4-11-25-21)28-12-9-19(10-13-28)29-20-7-5-6-17(14-20)16-24/h3-8,11,14-15,19H,2,9-10,12-13H2,1H3.
What are the key properties of 3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile?
3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile has a molecular weight of 385.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 133294715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).