2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione

C17H17N3O2 — CID 131071688

IUPAC2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione
SMILESCCNc1cc(CN2C(=O)c3ccccc3C2=O)cc(C)n1
InChIInChI=1S/C17H17N3O2/c1-3-18-15-9-12(8-11(2)19-15)10-20-16(21)13-6-4-5-7-14(13)17(20)22/h4-9H,3,10H2,1-2H3,(H,18,19)
InChIKeyYQQJGGYYCGTMJA-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.62
Rot. Bonds4

About 2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione

2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione (PubChem CID 131071688) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione
PubChem CID131071688
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione
SMILESCCNc1cc(CN2C(=O)c3ccccc3C2=O)cc(C)n1
InChIInChI=1S/C17H17N3O2/c1-3-18-15-9-12(8-11(2)19-15)10-20-16(21)13-6-4-5-7-14(13)17(20)22/h4-9H,3,10H2,1-2H3,(H,18,19)
InChIKeyYQQJGGYYCGTMJA-UHFFFAOYSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione (CID 131071688) is 2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione is CCNc1cc(CN2C(=O)c3ccccc3C2=O)cc(C)n1.
What is the InChIKey of 2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione?
The InChIKey is YQQJGGYYCGTMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-3-18-15-9-12(8-11(2)19-15)10-20-16(21)13-6-4-5-7-14(13)17(20)22/h4-9H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione?
2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione has a molecular weight of 295.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-6-methyl-4-pyridinyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 131071688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).