2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione

C18H17N3O3 — CID 51328039

IUPAC2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C18H17N3O3/c1-11(2)19-15-6-4-5-9-21(15)16(22)12-7-8-13-14(10-12)18(24)20(3)17(13)23/h4-11H,1-3H3/b19-15+
InChIKeyUEATWWJWPSEKNG-XDJHFCHBSA-N
MW323.35 g/mol
LogP1.71
Rot. Bonds2

About 2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione

2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione (PubChem CID 51328039) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione
PubChem CID51328039
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C18H17N3O3/c1-11(2)19-15-6-4-5-9-21(15)16(22)12-7-8-13-14(10-12)18(24)20(3)17(13)23/h4-11H,1-3H3/b19-15+
InChIKeyUEATWWJWPSEKNG-XDJHFCHBSA-N
XLogP1.71
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione (CID 51328039) is 2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione is CC(C)/N=c1\ccccn1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione?
The InChIKey is UEATWWJWPSEKNG-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11(2)19-15-6-4-5-9-21(15)16(22)12-7-8-13-14(10-12)18(24)20(3)17(13)23/h4-11H,1-3H3/b19-15+.
What are the key properties of 2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione?
2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione has a molecular weight of 323.35 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione is sourced from PubChem (CID 51328039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).