(2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile

C12H12N4 — CID 90467844

IUPAC(2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile
SMILESCN1C[C@H](C#N)[C@@H](C#N)[C@@H]1c1cccnc1
InChIInChI=1S/C12H12N4/c1-16-8-10(5-13)11(6-14)12(16)9-3-2-4-15-7-9/h2-4,7,10-12H,8H2,1H3/t10-,11+,12-/m0/s1
InChIKeyHQZZBQIBZXMYSG-TUAOUCFPSA-N
MW212.26 g/mol
LogP1.35
Rot. Bonds1

About (2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile

(2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile (PubChem CID 90467844) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is (2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile.

Molecular Properties

Compound Name(2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile
PubChem CID90467844
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name(2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile
SMILESCN1C[C@H](C#N)[C@@H](C#N)[C@@H]1c1cccnc1
InChIInChI=1S/C12H12N4/c1-16-8-10(5-13)11(6-14)12(16)9-3-2-4-15-7-9/h2-4,7,10-12H,8H2,1H3/t10-,11+,12-/m0/s1
InChIKeyHQZZBQIBZXMYSG-TUAOUCFPSA-N
XLogP1.35
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile?
The IUPAC name of (2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile (CID 90467844) is (2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile.
What is the SMILES notation for (2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile?
The canonical SMILES for (2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile is CN1C[C@H](C#N)[C@@H](C#N)[C@@H]1c1cccnc1.
What is the InChIKey of (2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile?
The InChIKey is HQZZBQIBZXMYSG-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H12N4/c1-16-8-10(5-13)11(6-14)12(16)9-3-2-4-15-7-9/h2-4,7,10-12H,8H2,1H3/t10-,11+,12-/m0/s1.
What are the key properties of (2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile?
(2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile has a molecular weight of 212.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile is sourced from PubChem (CID 90467844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).