2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

C14H19N3 — CID 61175735

IUPAC2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCCC1CCCN1c1nc(C)cc(C)c1C#N
InChIInChI=1S/C14H19N3/c1-4-12-6-5-7-17(12)14-13(9-15)10(2)8-11(3)16-14/h8,12H,4-7H2,1-3H3
InChIKeyZOSFZHNDGMQIDU-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.95
Rot. Bonds2

About 2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 61175735) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID61175735
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCCC1CCCN1c1nc(C)cc(C)c1C#N
InChIInChI=1S/C14H19N3/c1-4-12-6-5-7-17(12)14-13(9-15)10(2)8-11(3)16-14/h8,12H,4-7H2,1-3H3
InChIKeyZOSFZHNDGMQIDU-UHFFFAOYSA-N
XLogP2.95
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine
CID 61255936
[2-(2-ethylpyrrolidin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61254337
2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 63621643
2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 55061903
N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
CID 62281278
N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
CID 62281276
4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile
CID 103195610
2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658799
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 81107513
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
CID 115313360
2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 55100699

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (CID 61175735) is 2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is CCC1CCCN1c1nc(C)cc(C)c1C#N.
What is the InChIKey of 2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ZOSFZHNDGMQIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-12-6-5-7-17(12)14-13(9-15)10(2)8-11(3)16-14/h8,12H,4-7H2,1-3H3.
What are the key properties of 2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 61175735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).