2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione

C15H13N3O2 — CID 115910819

IUPAC2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1ncc(N)cc1C)C2=O
InChIInChI=1S/C15H13N3O2/c1-8-3-4-11-12(5-8)15(20)18(14(11)19)13-9(2)6-10(16)7-17-13/h3-7H,16H2,1-2H3
InChIKeyFMCFATFGCXELDB-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.08
Rot. Bonds1

About 2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione

2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione (PubChem CID 115910819) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione
PubChem CID115910819
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1ncc(N)cc1C)C2=O
InChIInChI=1S/C15H13N3O2/c1-8-3-4-11-12(5-8)15(20)18(14(11)19)13-9(2)6-10(16)7-17-13/h3-7H,16H2,1-2H3
InChIKeyFMCFATFGCXELDB-UHFFFAOYSA-N
XLogP2.08
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.08
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-(5-amino-3-methyl-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione
CID 103429584
1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione
CID 112555584
2-(5-bromo-1,3-thiazol-2-yl)-5-methylisoindole-1,3-dione
CID 60785294
2-(4-amino-3-methoxyphenyl)-5-methylisoindole-1,3-dione
CID 61350557
5-amino-2-(5-bromo-4-methyl-2-pyridinyl)isoindole-1,3-dione
CID 79730230
2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione
CID 43345930
CID 144533118
CID 144533118
5-methyl-2-(3,4,5-trichlorophenyl)isoindole-1,3-dione
CID 53231887
4-(5-methyl-1,3-dioxoisoindol-2-yl)benzaldehyde
CID 106913647
2-(3-methyl-2-pyridinyl)isoindole-1,3-dione
CID 10609961
2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione
CID 43653732
5-amino-2-(1,3-dimethylpyrazol-4-yl)isoindole-1,3-dione
CID 102805951

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione?
The IUPAC name of 2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione (CID 115910819) is 2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(c1ncc(N)cc1C)C2=O.
What is the InChIKey of 2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione?
The InChIKey is FMCFATFGCXELDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-8-3-4-11-12(5-8)15(20)18(14(11)19)13-9(2)6-10(16)7-17-13/h3-7H,16H2,1-2H3.
What are the key properties of 2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione?
2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione has a molecular weight of 267.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione is sourced from PubChem (CID 115910819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).