2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride

C18H18ClN3O2 — CID 156819355

IUPAC2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride
SMILESCl.O=C1c2ccccc2C(=O)N1Cc1cc(C2CCNC2)ccn1
InChIInChI=1S/C18H17N3O2.ClH/c22-17-15-3-1-2-4-16(15)18(23)21(17)11-14-9-12(6-8-20-14)13-5-7-19-10-13;/h1-4,6,8-9,13,19H,5,7,10-11H2;1H
InChIKeyHSACVPYYOVCAOP-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.38
Rot. Bonds3

About 2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride

2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride (PubChem CID 156819355) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride
PubChem CID156819355
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride
SMILESCl.O=C1c2ccccc2C(=O)N1Cc1cc(C2CCNC2)ccn1
InChIInChI=1S/C18H17N3O2.ClH/c22-17-15-3-1-2-4-16(15)18(23)21(17)11-14-9-12(6-8-20-14)13-5-7-19-10-13;/h1-4,6,8-9,13,19H,5,7,10-11H2;1H
InChIKeyHSACVPYYOVCAOP-UHFFFAOYSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid
CID 114324415
2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
CID 165131617
2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride
CID 165131719
3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine
CID 117401616
2-[(5-chloropyrazin-2-yl)methyl]isoindole-1,3-dione
CID 103054453
2-piperidin-1-yl-4-piperidin-4-ylpyridine
CID 165348950
2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 120869705
2-chloro-4-piperidin-4-ylpyridine;dihydrochloride
CID 167994882
3-(3-iodophenyl)pyrrolidine;hydrochloride
CID 169498448
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382
N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
CID 75994063

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride (CID 156819355) is 2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride is Cl.O=C1c2ccccc2C(=O)N1Cc1cc(C2CCNC2)ccn1.
What is the InChIKey of 2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride?
The InChIKey is HSACVPYYOVCAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2.ClH/c22-17-15-3-1-2-4-16(15)18(23)21(17)11-14-9-12(6-8-20-14)13-5-7-19-10-13;/h1-4,6,8-9,13,19H,5,7,10-11H2;1H.
What are the key properties of 2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride?
2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride has a molecular weight of 343.81 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 156819355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).