5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione

C17H16BrN3O3 — CID 56659237

IUPAC5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(NN2C(=O)OC(C)(c3ccc(Br)nc3)C2=O)c(C)c1
InChIInChI=1S/C17H16BrN3O3/c1-10-4-6-13(11(2)8-10)20-21-15(22)17(3,24-16(21)23)12-5-7-14(18)19-9-12/h4-9,20H,1-3H3
InChIKeyRJQKGYCVTBDKCK-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.68
Rot. Bonds3

About 5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione

5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 56659237) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is 5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID56659237
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC Name5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(NN2C(=O)OC(C)(c3ccc(Br)nc3)C2=O)c(C)c1
InChIInChI=1S/C17H16BrN3O3/c1-10-4-6-13(11(2)8-10)20-21-15(22)17(3,24-16(21)23)12-5-7-14(18)19-9-12/h4-9,20H,1-3H3
InChIKeyRJQKGYCVTBDKCK-UHFFFAOYSA-N
XLogP3.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione (CID 56659237) is 5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione is Cc1ccc(NN2C(=O)OC(C)(c3ccc(Br)nc3)C2=O)c(C)c1.
What is the InChIKey of 5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is RJQKGYCVTBDKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-10-4-6-13(11(2)8-10)20-21-15(22)17(3,24-16(21)23)12-5-7-14(18)19-9-12/h4-9,20H,1-3H3.
What are the key properties of 5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione?
5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 390.24 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 56659237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).