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

C11H15ClN4 — CID 71644679

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccnc(N2CCCC2CN)c1
InChIInChI=1S/C11H14N4.ClH/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;1H
InChIKeyUMPSQKQMFMMJHC-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.30
Rot. Bonds2

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

2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride (PubChem CID 71644679) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride
PubChem CID71644679
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccnc(N2CCCC2CN)c1
InChIInChI=1S/C11H14N4.ClH/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;1H
InChIKeyUMPSQKQMFMMJHC-UHFFFAOYSA-N
XLogP1.30
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 96683436
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile
CID 103442482
[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71644669
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
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-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 23369489
1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine
CID 104690178

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride (CID 71644679) is 2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride is Cl.N#Cc1ccnc(N2CCCC2CN)c1.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride?
The InChIKey is UMPSQKQMFMMJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.ClH/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;1H.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride?
2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 1.30, 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]pyridine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 71644679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).