2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile

C16H19N5 — CID 91645884

IUPAC2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(N2CCC(c3ccn[nH]3)CC2)c(C#N)c(C)n1
InChIInChI=1S/C16H19N5/c1-11-9-16(14(10-17)12(2)19-11)21-7-4-13(5-8-21)15-3-6-18-20-15/h3,6,9,13H,4-5,7-8H2,1-2H3,(H,18,20)
InChIKeyPSOAQPGJHZDJRZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.68
Rot. Bonds2

About 2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile

2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 91645884) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID91645884
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(N2CCC(c3ccn[nH]3)CC2)c(C#N)c(C)n1
InChIInChI=1S/C16H19N5/c1-11-9-16(14(10-17)12(2)19-11)21-7-4-13(5-8-21)15-3-6-18-20-15/h3,6,9,13H,4-5,7-8H2,1-2H3,(H,18,20)
InChIKeyPSOAQPGJHZDJRZ-UHFFFAOYSA-N
XLogP2.68
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)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 2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile (CID 91645884) is 2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile is Cc1cc(N2CCC(c3ccn[nH]3)CC2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is PSOAQPGJHZDJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-9-16(14(10-17)12(2)19-11)21-7-4-13(5-8-21)15-3-6-18-20-15/h3,6,9,13H,4-5,7-8H2,1-2H3,(H,18,20).
What are the key properties of 2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 91645884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).