5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione

C15H13N3O3 — CID 62995186

IUPAC5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione
SMILESCOc1cc(CN2C(=O)c3ccc(N)cc3C2=O)ccn1
InChIInChI=1S/C15H13N3O3/c1-21-13-6-9(4-5-17-13)8-18-14(19)11-3-2-10(16)7-12(11)15(18)20/h2-7H,8,16H2,1H3
InChIKeyUCQNJDUUCWHCBZ-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.47
Rot. Bonds3

About 5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione

5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione (PubChem CID 62995186) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione
PubChem CID62995186
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione
SMILESCOc1cc(CN2C(=O)c3ccc(N)cc3C2=O)ccn1
InChIInChI=1S/C15H13N3O3/c1-21-13-6-9(4-5-17-13)8-18-14(19)11-3-2-10(16)7-12(11)15(18)20/h2-7H,8,16H2,1H3
InChIKeyUCQNJDUUCWHCBZ-UHFFFAOYSA-N
XLogP1.47
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione?
The IUPAC name of 5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione (CID 62995186) is 5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione is COc1cc(CN2C(=O)c3ccc(N)cc3C2=O)ccn1.
What is the InChIKey of 5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione?
The InChIKey is UCQNJDUUCWHCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-21-13-6-9(4-5-17-13)8-18-14(19)11-3-2-10(16)7-12(11)15(18)20/h2-7H,8,16H2,1H3.
What are the key properties of 5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione?
5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione has a molecular weight of 283.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-methoxy-4-pyridinyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 62995186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).