2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile

C11H14N4 — CID 96683436

IUPAC2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC[C@H]2CN)c1
InChIInChI=1S/C11H14N4/c12-7-9-3-4-14-11(6-9)15-5-1-2-10(15)8-13/h3-4,6,10H,1-2,5,8,13H2/t10-/m0/s1
InChIKeyOZEQAADRDCGCFZ-JTQLQIEISA-N
MW202.26 g/mol
LogP0.88
Rot. Bonds2

About 2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile

2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile (PubChem CID 96683436) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
PubChem CID96683436
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC[C@H]2CN)c1
InChIInChI=1S/C11H14N4/c12-7-9-3-4-14-11(6-9)15-5-1-2-10(15)8-13/h3-4,6,10H,1-2,5,8,13H2/t10-/m0/s1
InChIKeyOZEQAADRDCGCFZ-JTQLQIEISA-N
XLogP0.88
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride
CID 71644679
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile
CID 103442482
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
CID 115313360
2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061376
tert-butyl N-[[(2S)-1-(4-cyano-2-pyridinyl)piperidin-2-yl]methyl]carbamate
CID 97174201
[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71644669
2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile
CID 97165435
4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978971
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 54986436
2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 54989758
1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine
CID 104690178
4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64830681

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile (CID 96683436) is 2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCC[C@H]2CN)c1.
What is the InChIKey of 2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is OZEQAADRDCGCFZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N4/c12-7-9-3-4-14-11(6-9)15-5-1-2-10(15)8-13/h3-4,6,10H,1-2,5,8,13H2/t10-/m0/s1.
What are the key properties of 2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 96683436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).