2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione

C16H15N3O2 — CID 43192235

IUPAC2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione
SMILESCC(Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccn1
InChIInChI=1S/C16H15N3O2/c1-10(14-5-3-4-8-17-14)18-11-6-7-12-13(9-11)16(21)19(2)15(12)20/h3-10,18H,1-2H3
InChIKeyZUCMJIDRRGYYOS-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.48
Rot. Bonds3

About 2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione

2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione (PubChem CID 43192235) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione
PubChem CID43192235
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione
SMILESCC(Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccn1
InChIInChI=1S/C16H15N3O2/c1-10(14-5-3-4-8-17-14)18-11-6-7-12-13(9-11)16(21)19(2)15(12)20/h3-10,18H,1-2H3
InChIKeyZUCMJIDRRGYYOS-UHFFFAOYSA-N
XLogP2.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.48
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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione (CID 43192235) is 2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione is CC(Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccn1.
What is the InChIKey of 2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione?
The InChIKey is ZUCMJIDRRGYYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10(14-5-3-4-8-17-14)18-11-6-7-12-13(9-11)16(21)19(2)15(12)20/h3-10,18H,1-2H3.
What are the key properties of 2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione?
2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione has a molecular weight of 281.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione is sourced from PubChem (CID 43192235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).