3-(2-aminoethyl)pyridine-2-carbonitrile

C8H9N3 — CID 83872418

IUPAC3-(2-aminoethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CCN
InChIInChI=1S/C8H9N3/c9-4-3-7-2-1-5-11-8(7)6-10/h1-2,5H,3-4,9H2
InChIKeyRBYZQDOIIFIZKX-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.45
Rot. Bonds2

About 3-(2-aminoethyl)pyridine-2-carbonitrile

3-(2-aminoethyl)pyridine-2-carbonitrile (PubChem CID 83872418) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 3-(2-aminoethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-aminoethyl)pyridine-2-carbonitrile
PubChem CID83872418
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name3-(2-aminoethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CCN
InChIInChI=1S/C8H9N3/c9-4-3-7-2-1-5-11-8(7)6-10/h1-2,5H,3-4,9H2
InChIKeyRBYZQDOIIFIZKX-UHFFFAOYSA-N
XLogP0.45
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-aminoethyl)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethionamide
CID 2761171
Anabasine
CID 205586
Nornicotine
CID 91462
Prothionamide
CID 666418
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
3-Cyanopyridine
CID 79
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(2-aminoethyl)pyridine-2-carbonitrile (CID 83872418) is 3-(2-aminoethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(2-aminoethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(2-aminoethyl)pyridine-2-carbonitrile is N#Cc1ncccc1CCN.
What is the InChIKey of 3-(2-aminoethyl)pyridine-2-carbonitrile?
The InChIKey is RBYZQDOIIFIZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c9-4-3-7-2-1-5-11-8(7)6-10/h1-2,5H,3-4,9H2.
What are the key properties of 3-(2-aminoethyl)pyridine-2-carbonitrile?
3-(2-aminoethyl)pyridine-2-carbonitrile has a molecular weight of 147.18 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 83872418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).