3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile

C20H19N7O — CID 155522751

IUPAC3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ncc(Nc2ncc(-c3ccncc3)cn2)cc1OC1CCCNC1
InChIInChI=1S/C20H19N7O/c21-9-18-19(28-17-2-1-5-23-13-17)8-16(12-24-18)27-20-25-10-15(11-26-20)14-3-6-22-7-4-14/h3-4,6-8,10-12,17,23H,1-2,5,13H2,(H,25,26,27)
InChIKeyPRSTYCIARCQWLV-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.68
Rot. Bonds5

About 3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile

3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 155522751) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile
PubChem CID155522751
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ncc(Nc2ncc(-c3ccncc3)cn2)cc1OC1CCCNC1
InChIInChI=1S/C20H19N7O/c21-9-18-19(28-17-2-1-5-23-13-17)8-16(12-24-18)27-20-25-10-15(11-26-20)14-3-6-22-7-4-14/h3-4,6-8,10-12,17,23H,1-2,5,13H2,(H,25,26,27)
InChIKeyPRSTYCIARCQWLV-UHFFFAOYSA-N
XLogP2.68
TPSA108.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-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 3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile (CID 155522751) is 3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile is N#Cc1ncc(Nc2ncc(-c3ccncc3)cn2)cc1OC1CCCNC1.
What is the InChIKey of 3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is PRSTYCIARCQWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c21-9-18-19(28-17-2-1-5-23-13-17)8-16(12-24-18)27-20-25-10-15(11-26-20)14-3-6-22-7-4-14/h3-4,6-8,10-12,17,23H,1-2,5,13H2,(H,25,26,27).
What are the key properties of 3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile?
3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 373.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yloxy-5-[(5-pyridin-4-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 155522751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).