4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile

C14H19N3 — CID 55157250

IUPAC4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile
SMILESCCN(c1ccnc(C#N)c1)C1CCCCC1
InChIInChI=1S/C14H19N3/c1-2-17(13-6-4-3-5-7-13)14-8-9-16-12(10-14)11-15/h8-10,13H,2-7H2,1H3
InChIKeyNSRCHZTYWSNYSR-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.11
Rot. Bonds3

About 4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile

4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile (PubChem CID 55157250) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile
PubChem CID55157250
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile
SMILESCCN(c1ccnc(C#N)c1)C1CCCCC1
InChIInChI=1S/C14H19N3/c1-2-17(13-6-4-3-5-7-13)14-8-9-16-12(10-14)11-15/h8-10,13H,2-7H2,1H3
InChIKeyNSRCHZTYWSNYSR-UHFFFAOYSA-N
XLogP3.11
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile (CID 55157250) is 4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile is CCN(c1ccnc(C#N)c1)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile?
The InChIKey is NSRCHZTYWSNYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-17(13-6-4-3-5-7-13)14-8-9-16-12(10-14)11-15/h8-10,13H,2-7H2,1H3.
What are the key properties of 4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile?
4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 55157250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).