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

C19H18N6OS — CID 134508152

IUPAC3-piperidin-3-yloxy-5-[(5-thiophen-2-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ncc(Nc2ncc(-c3cccs3)cn2)cc1OC1CCCNC1
InChIInChI=1S/C19H18N6OS/c20-8-16-17(26-15-3-1-5-21-12-15)7-14(11-22-16)25-19-23-9-13(10-24-19)18-4-2-6-27-18/h2,4,6-7,9-11,15,21H,1,3,5,12H2,(H,23,24,25)
InChIKeyPNLWQRSPSHKBDQ-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.35
Rot. Bonds5

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

3-piperidin-3-yloxy-5-[(5-thiophen-2-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 134508152) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 3-piperidin-3-yloxy-5-[(5-thiophen-2-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-piperidin-3-yloxy-5-[(5-thiophen-2-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile
PubChem CID134508152
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name3-piperidin-3-yloxy-5-[(5-thiophen-2-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ncc(Nc2ncc(-c3cccs3)cn2)cc1OC1CCCNC1
InChIInChI=1S/C19H18N6OS/c20-8-16-17(26-15-3-1-5-21-12-15)7-14(11-22-16)25-19-23-9-13(10-24-19)18-4-2-6-27-18/h2,4,6-7,9-11,15,21H,1,3,5,12H2,(H,23,24,25)
InChIKeyPNLWQRSPSHKBDQ-UHFFFAOYSA-N
XLogP3.35
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yloxy-5-[(5-thiophen-2-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-piperidin-3-yloxy-5-[(5-thiophen-2-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile (CID 134508152) is 3-piperidin-3-yloxy-5-[(5-thiophen-2-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-piperidin-3-yloxy-5-[(5-thiophen-2-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-piperidin-3-yloxy-5-[(5-thiophen-2-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile is N#Cc1ncc(Nc2ncc(-c3cccs3)cn2)cc1OC1CCCNC1.
What is the InChIKey of 3-piperidin-3-yloxy-5-[(5-thiophen-2-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is PNLWQRSPSHKBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c20-8-16-17(26-15-3-1-5-21-12-15)7-14(11-22-16)25-19-23-9-13(10-24-19)18-4-2-6-27-18/h2,4,6-7,9-11,15,21H,1,3,5,12H2,(H,23,24,25).
What are the key properties of 3-piperidin-3-yloxy-5-[(5-thiophen-2-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile?
3-piperidin-3-yloxy-5-[(5-thiophen-2-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 378.46 g/mol, XLogP of 3.35, 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-thiophen-2-ylpyrimidin-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134508152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).