2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride

C15H14ClN3O2 — CID 67101110

IUPAC2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride
SMILESCl.NCc1ncccc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H13N3O2.ClH/c16-8-13-10(4-3-7-17-13)9-18-14(19)11-5-1-2-6-12(11)15(18)20;/h1-7H,8-9,16H2;1H
InChIKeyDOHXPJDUIDJWPP-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.76
Rot. Bonds3

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

2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride (PubChem CID 67101110) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride
PubChem CID67101110
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride
SMILESCl.NCc1ncccc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H13N3O2.ClH/c16-8-13-10(4-3-7-17-13)9-18-14(19)11-5-1-2-6-12(11)15(18)20;/h1-7H,8-9,16H2;1H
InChIKeyDOHXPJDUIDJWPP-UHFFFAOYSA-N
XLogP1.76
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.76
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

4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
PARP Inhibitor XIV
CID 25113764
2-[2-(1H-indol-3-yl)ethyl]-1H-Isoindole-1,3(2H)-dione
CID 288577
(1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
CID 134814226
3-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11514482
Pha-767491
CID 11715767
Pkn1/2-IN-1
CID 23585102
2-(pyridin-4-yl)-1-(2,2,2-trifluoroethyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585103
1-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585245
2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
CID 25134265
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2-fluorophenyl)butanamide
CID 4382156
5-Nitro-2-(pyridin-3-ylmethyl)isoindole-1,3-dione
CID 869878

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride (CID 67101110) is 2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride is Cl.NCc1ncccc1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride?
The InChIKey is DOHXPJDUIDJWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2.ClH/c16-8-13-10(4-3-7-17-13)9-18-14(19)11-5-1-2-6-12(11)15(18)20;/h1-7H,8-9,16H2;1H.
What are the key properties of 2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride?
2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride has a molecular weight of 303.75 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 67101110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).