2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile

C12H15N3 — CID 115644105

IUPAC2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESCC1CC(C)N(c2ncccc2C#N)C1
InChIInChI=1S/C12H15N3/c1-9-6-10(2)15(8-9)12-11(7-13)4-3-5-14-12/h3-5,9-10H,6,8H2,1-2H3
InChIKeyNWEICHVXROWAMC-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.19
Rot. Bonds1

About 2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile

2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile (PubChem CID 115644105) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile
PubChem CID115644105
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESCC1CC(C)N(c2ncccc2C#N)C1
InChIInChI=1S/C12H15N3/c1-9-6-10(2)15(8-9)12-11(7-13)4-3-5-14-12/h3-5,9-10H,6,8H2,1-2H3
InChIKeyNWEICHVXROWAMC-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dimethylpyrrolidin-1-yl)pyridine-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

2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 94546211
1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine
CID 114056405
2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128978159
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 94015449
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79370136
2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 99714406
2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62663072
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417
2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 166257527
2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 133332499

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile (CID 115644105) is 2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile is CC1CC(C)N(c2ncccc2C#N)C1.
What is the InChIKey of 2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is NWEICHVXROWAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-6-10(2)15(8-9)12-11(7-13)4-3-5-14-12/h3-5,9-10H,6,8H2,1-2H3.
What are the key properties of 2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile?
2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 115644105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).