5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile

C11H14N4 — CID 115490430

IUPAC5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile
SMILESCCN(c1ccc(C#N)nc1)C1CNC1
InChIInChI=1S/C11H14N4/c1-2-15(11-6-13-7-11)10-4-3-9(5-12)14-8-10/h3-4,8,11,13H,2,6-7H2,1H3
InChIKeyIUQBTXAWJMJZMT-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.75
Rot. Bonds3

About 5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile

5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile (PubChem CID 115490430) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile
PubChem CID115490430
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile
SMILESCCN(c1ccc(C#N)nc1)C1CNC1
InChIInChI=1S/C11H14N4/c1-2-15(11-6-13-7-11)10-4-3-9(5-12)14-8-10/h3-4,8,11,13H,2,6-7H2,1H3
InChIKeyIUQBTXAWJMJZMT-UHFFFAOYSA-N
XLogP0.75
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile (CID 115490430) is 5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile is CCN(c1ccc(C#N)nc1)C1CNC1.
What is the InChIKey of 5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile?
The InChIKey is IUQBTXAWJMJZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-15(11-6-13-7-11)10-4-3-9(5-12)14-8-10/h3-4,8,11,13H,2,6-7H2,1H3.
What are the key properties of 5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile?
5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 115490430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).