2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile

C12H15N3 — CID 117022412

IUPAC2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile
SMILESCC1C(C#N)CCN1Cc1ccccn1
InChIInChI=1S/C12H15N3/c1-10-11(8-13)5-7-15(10)9-12-4-2-3-6-14-12/h2-4,6,10-11H,5,7,9H2,1H3
InChIKeySMRRUIMCVUHHDQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.82
Rot. Bonds2

About 2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile

2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile (PubChem CID 117022412) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile
PubChem CID117022412
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile
SMILESCC1C(C#N)CCN1Cc1ccccn1
InChIInChI=1S/C12H15N3/c1-10-11(8-13)5-7-15(10)9-12-4-2-3-6-14-12/h2-4,6,10-11H,5,7,9H2,1H3
InChIKeySMRRUIMCVUHHDQ-UHFFFAOYSA-N
XLogP1.82
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-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-[(2-ethylazetidin-1-yl)methyl]pyridine
CID 130678024
1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile
CID 117022408
[3-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 102788259
[4-methyl-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanamine
CID 103440446
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
(2R)-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 67972243
2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine
CID 175980206
N-methyl-1-[1-(pyridin-2-ylmethyl)aziridin-2-yl]methanamine
CID 117010161
(3aR,6aS)-4-[(5-methylthiophen-2-yl)methyl]-1-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97459267
2-ethyl-5-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64844286
4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
CID 78967411
(3aR,6aS)-1-(furan-3-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124804817

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile?
The IUPAC name of 2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile (CID 117022412) is 2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for 2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile is CC1C(C#N)CCN1Cc1ccccn1.
What is the InChIKey of 2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile?
The InChIKey is SMRRUIMCVUHHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-11(8-13)5-7-15(10)9-12-4-2-3-6-14-12/h2-4,6,10-11H,5,7,9H2,1H3.
What are the key properties of 2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile?
2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 117022412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).