2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile

C14H18N4 — CID 79170700

IUPAC2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
SMILESCN1C2CCC1CN(c1cc(C#N)ccn1)CC2
InChIInChI=1S/C14H18N4/c1-17-12-2-3-13(17)10-18(7-5-12)14-8-11(9-15)4-6-16-14/h4,6,8,12-13H,2-3,5,7,10H2,1H3
InChIKeyVPCIJJLACZOIOJ-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.63
Rot. Bonds1

About 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile (PubChem CID 79170700) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
PubChem CID79170700
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
SMILESCN1C2CCC1CN(c1cc(C#N)ccn1)CC2
InChIInChI=1S/C14H18N4/c1-17-12-2-3-13(17)10-18(7-5-12)14-8-11(9-15)4-6-16-14/h4,6,8,12-13H,2-3,5,7,10H2,1H3
InChIKeyVPCIJJLACZOIOJ-UHFFFAOYSA-N
XLogP1.63
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile (CID 79170700) is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile is CN1C2CCC1CN(c1cc(C#N)ccn1)CC2.
What is the InChIKey of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile?
The InChIKey is VPCIJJLACZOIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-17-12-2-3-13(17)10-18(7-5-12)14-8-11(9-15)4-6-16-14/h4,6,8,12-13H,2-3,5,7,10H2,1H3.
What are the key properties of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile?
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 79170700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).