3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile

C12H16N4 — CID 106618513

IUPAC3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
SMILESCN(CC1CCCN1)c1cccnc1C#N
InChIInChI=1S/C12H16N4/c1-16(9-10-4-2-6-14-10)12-5-3-7-15-11(12)8-13/h3,5,7,10,14H,2,4,6,9H2,1H3
InChIKeyRQYGLSLJACSBIL-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.14
Rot. Bonds3

About 3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile

3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile (PubChem CID 106618513) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
PubChem CID106618513
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
SMILESCN(CC1CCCN1)c1cccnc1C#N
InChIInChI=1S/C12H16N4/c1-16(9-10-4-2-6-14-10)12-5-3-7-15-11(12)8-13/h3,5,7,10,14H,2,4,6,9H2,1H3
InChIKeyRQYGLSLJACSBIL-UHFFFAOYSA-N
XLogP1.14
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[methyl(pyrrolidin-2-ylmethyl)amino]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

Related Compounds

N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608008
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 71641983
3-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106618690
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride
CID 71641982
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245
6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106642122
N-(azepan-2-ylmethyl)-2-fluoro-N-methylaniline
CID 64569973
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile
CID 106641480
N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106642245
2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106618416
N-methyl-2-pyridin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 28599662

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile (CID 106618513) is 3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile is CN(CC1CCCN1)c1cccnc1C#N.
What is the InChIKey of 3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
The InChIKey is RQYGLSLJACSBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16(9-10-4-2-6-14-10)12-5-3-7-15-11(12)8-13/h3,5,7,10,14H,2,4,6,9H2,1H3.
What are the key properties of 3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 106618513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).