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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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).