3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile

C14H20N4 — CID 62920268

IUPAC3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCN(C)CC1CCCN1Cc1cccnc1C#N
InChIInChI=1S/C14H20N4/c1-17(2)11-13-6-4-8-18(13)10-12-5-3-7-16-14(12)9-15/h3,5,7,13H,4,6,8,10-11H2,1-2H3
InChIKeyJABOLAXVDMWORJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.48
Rot. Bonds4

About 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile

3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 62920268) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID62920268
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCN(C)CC1CCCN1Cc1cccnc1C#N
InChIInChI=1S/C14H20N4/c1-17(2)11-13-6-4-8-18(13)10-12-5-3-7-16-14(12)9-15/h3,5,7,13H,4,6,8,10-11H2,1-2H3
InChIKeyJABOLAXVDMWORJ-UHFFFAOYSA-N
XLogP1.48
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile (CID 62920268) is 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile is CN(C)CC1CCCN1Cc1cccnc1C#N.
What is the InChIKey of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is JABOLAXVDMWORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-17(2)11-13-6-4-8-18(13)10-12-5-3-7-16-14(12)9-15/h3,5,7,13H,4,6,8,10-11H2,1-2H3.
What are the key properties of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile?
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62920268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).