2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile

C12H16N4 — CID 115313360

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(N2CCCC2CN)c1C#N
InChIInChI=1S/C12H16N4/c1-9-4-5-15-12(11(9)8-14)16-6-2-3-10(16)7-13/h4-5,10H,2-3,6-7,13H2,1H3
InChIKeySETGOHVOPGZDSE-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.19
Rot. Bonds2

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile

2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile (PubChem CID 115313360) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
PubChem CID115313360
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(N2CCCC2CN)c1C#N
InChIInChI=1S/C12H16N4/c1-9-4-5-15-12(11(9)8-14)16-6-2-3-10(16)7-13/h4-5,10H,2-3,6-7,13H2,1H3
InChIKeySETGOHVOPGZDSE-UHFFFAOYSA-N
XLogP1.19
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-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-(hydroxymethyl)azepan-1-yl]-4-methylpyridine-3-carbonitrile
CID 116634711
2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061376
2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 96683436
2-[(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
CID 129447499
3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 80514934
2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride
CID 71644679
2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 61175735
3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine
CID 106876417
(1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine
CID 62592284
2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102891961
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 106876337
[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine
CID 106540997

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile (CID 115313360) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile is Cc1ccnc(N2CCCC2CN)c1C#N.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile?
The InChIKey is SETGOHVOPGZDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-4-5-15-12(11(9)8-14)16-6-2-3-10(16)7-13/h4-5,10H,2-3,6-7,13H2,1H3.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile?
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 115313360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).