4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile

C12H15N3 — CID 892982

IUPAC4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCCC2)n1
InChIInChI=1S/C12H15N3/c1-9-7-10(2)14-12(11(9)8-13)15-5-3-4-6-15/h7H,3-6H2,1-2H3
InChIKeyAZAOVFIBBQKZDL-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.17
Rot. Bonds1

About 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile

4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile (PubChem CID 892982) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
PubChem CID892982
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCCC2)n1
InChIInChI=1S/C12H15N3/c1-9-7-10(2)14-12(11(9)8-13)15-5-3-4-6-15/h7H,3-6H2,1-2H3
InChIKeyAZAOVFIBBQKZDL-UHFFFAOYSA-N
XLogP2.17
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-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

ST001233
CID 610514
2-Amino-4,6-dimethyl-3-pyridinecarbonitrile
CID 230471
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
6-[3-(Dimethylamino)propyl]-4-methylpyridin-2-amine
CID 158447563
2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-4,6-dimethyl-nicotinonitrile
CID 947920
6-Amino-2,4-dimethyl-3-pyridinecarbonitrile
CID 3793299
4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile
CID 698057
6-[4-(Dimethylamino)but-1-yn-1-yl]-4-methylpyridin-2-amine
CID 164513505
6-[4-(Dimethylamino)butyl]-4-methylpyridin-2-amine
CID 164513506
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinonitrile
CID 706821
6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile
CID 3838379
1-Propyl-3-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 658267

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile (CID 892982) is 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCCC2)n1.
What is the InChIKey of 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The InChIKey is AZAOVFIBBQKZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-7-10(2)14-12(11(9)8-13)15-5-3-4-6-15/h7H,3-6H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 892982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).