2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione

C14H15N3O2 — CID 67265818

IUPAC2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione
SMILESCC1(N2C(=O)c3ccccc3C2=O)CCCN=C1N
InChIInChI=1S/C14H15N3O2/c1-14(7-4-8-16-13(14)15)17-11(18)9-5-2-3-6-10(9)12(17)19/h2-3,5-6H,4,7-8H2,1H3,(H2,15,16)
InChIKeyWQZVNOCQNQJFJB-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.19
Rot. Bonds1

About 2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione

2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione (PubChem CID 67265818) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione
PubChem CID67265818
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione
SMILESCC1(N2C(=O)c3ccccc3C2=O)CCCN=C1N
InChIInChI=1S/C14H15N3O2/c1-14(7-4-8-16-13(14)15)17-11(18)9-5-2-3-6-10(9)12(17)19/h2-3,5-6H,4,7-8H2,1H3,(H2,15,16)
InChIKeyWQZVNOCQNQJFJB-UHFFFAOYSA-N
XLogP1.19
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione with MolForge

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Related Compounds

ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione
CID 64686613
2-(1-sulfanylcyclohexyl)isoindole-1,3-dione
CID 88768077
2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione
CID 70464685
2-(3-methylazetidin-3-yl)isoindole-1,3-dione
CID 131014758
1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide
CID 21441264
3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one
CID 114697546
2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
CID 130706522
4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione
CID 140915010
2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione
CID 67091098
2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one
CID 103354311
ethyl (E)-3-[1-(1,3-dioxoisoindol-2-yl)cyclopropyl]prop-2-enoate
CID 162351471

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione (CID 67265818) is 2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione is CC1(N2C(=O)c3ccccc3C2=O)CCCN=C1N.
What is the InChIKey of 2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione?
The InChIKey is WQZVNOCQNQJFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-14(7-4-8-16-13(14)15)17-11(18)9-5-2-3-6-10(9)12(17)19/h2-3,5-6H,4,7-8H2,1H3,(H2,15,16).
What are the key properties of 2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione?
2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione has a molecular weight of 257.29 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-methyl-3,4-dihydro-2H-pyridin-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 67265818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).