6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile

C21H24N4O2 — CID 58547797

IUPAC6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1
InChIInChI=1S/C21H24N4O2/c22-14-16-3-4-20(24-15-16)25-10-5-18(6-11-25)27-21-19(2-1-9-23-21)17-7-12-26-13-8-17/h1-4,9,15,17-18H,5-8,10-13H2
InChIKeyFGRRTZRDKBREAA-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.29
Rot. Bonds4

About 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 58547797) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID58547797
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1
InChIInChI=1S/C21H24N4O2/c22-14-16-3-4-20(24-15-16)25-10-5-18(6-11-25)27-21-19(2-1-9-23-21)17-7-12-26-13-8-17/h1-4,9,15,17-18H,5-8,10-13H2
InChIKeyFGRRTZRDKBREAA-UHFFFAOYSA-N
XLogP3.29
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile (CID 58547797) is 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1.
What is the InChIKey of 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is FGRRTZRDKBREAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-14-16-3-4-20(24-15-16)25-10-5-18(6-11-25)27-21-19(2-1-9-23-21)17-7-12-26-13-8-17/h1-4,9,15,17-18H,5-8,10-13H2.
What are the key properties of 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 58547797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).