2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile

C15H20N4 — CID 61232349

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile
SMILESCCN(c1ncccc1C#N)C1CC2CCC(C1)N2
InChIInChI=1S/C15H20N4/c1-2-19(15-11(10-16)4-3-7-17-15)14-8-12-5-6-13(9-14)18-12/h3-4,7,12-14,18H,2,5-6,8-9H2,1H3
InChIKeyZXNSBFLRYKZPFH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.06
Rot. Bonds3

About 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile

2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile (PubChem CID 61232349) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile
PubChem CID61232349
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile
SMILESCCN(c1ncccc1C#N)C1CC2CCC(C1)N2
InChIInChI=1S/C15H20N4/c1-2-19(15-11(10-16)4-3-7-17-15)14-8-12-5-6-13(9-14)18-12/h3-4,7,12-14,18H,2,5-6,8-9H2,1H3
InChIKeyZXNSBFLRYKZPFH-UHFFFAOYSA-N
XLogP2.06
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile (CID 61232349) is 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile is CCN(c1ncccc1C#N)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile?
The InChIKey is ZXNSBFLRYKZPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-19(15-11(10-16)4-3-7-17-15)14-8-12-5-6-13(9-14)18-12/h3-4,7,12-14,18H,2,5-6,8-9H2,1H3.
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile?
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 61232349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).