4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile

C16H11BrN4O3 — CID 56676407

IUPAC4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile
SMILESCC1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C16H11BrN4O3/c1-16(11-4-7-13(17)19-9-11)14(22)21(15(23)24-16)20-12-5-2-10(8-18)3-6-12/h2-7,9,20H,1H3
InChIKeyNKFFLYWIAHIWLC-UHFFFAOYSA-N
MW387.19 g/mol
LogP2.94
Rot. Bonds3

About 4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile

4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile (PubChem CID 56676407) has the molecular formula C16H11BrN4O3 and a molecular weight of 387.19 g/mol. Its IUPAC name is 4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile
PubChem CID56676407
Molecular FormulaC16H11BrN4O3
Molecular Weight387.19 g/mol
Exact Mass386.00
IUPAC Name4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile
SMILESCC1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C16H11BrN4O3/c1-16(11-4-7-13(17)19-9-11)14(22)21(15(23)24-16)20-12-5-2-10(8-18)3-6-12/h2-7,9,20H,1H3
InChIKeyNKFFLYWIAHIWLC-UHFFFAOYSA-N
XLogP2.94
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.19
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile with MolForge

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Related Compounds

5-(6-bromo-3-pyridinyl)-5-methyl-3-(4-nitroanilino)-1,3-oxazolidine-2,4-dione
CID 56662715
5-(6-bromo-3-pyridinyl)-3-(2,4-dimethylanilino)-5-methyl-1,3-oxazolidine-2,4-dione
CID 56659237
5-[[(6-bromo-3-pyridinyl)amino]methyl]thiophene-3-carbonitrile
CID 115925174
4-[(4S)-4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl]benzonitrile
CID 40972073
2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine
CID 172993557
4-[(1,4,4-trimethyl-2-oxo-3,1-benzoxazin-6-yl)amino]benzonitrile
CID 11312834
6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide
CID 66463352
4-[4-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methyl-5-oxooxolan-2-yl]benzonitrile
CID 10200139
4-[2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]ethoxy]benzonitrile
CID 46815424
4-[(4R)-1-(cyanomethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 41105372
1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile
CID 23134458
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile?
The IUPAC name of 4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile (CID 56676407) is 4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile?
The canonical SMILES for 4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile is CC1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc(C#N)cc2)C1=O.
What is the InChIKey of 4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile?
The InChIKey is NKFFLYWIAHIWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O3/c1-16(11-4-7-13(17)19-9-11)14(22)21(15(23)24-16)20-12-5-2-10(8-18)3-6-12/h2-7,9,20H,1H3.
What are the key properties of 4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile?
4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile has a molecular weight of 387.19 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(6-bromo-3-pyridinyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl]amino]benzonitrile is sourced from PubChem (CID 56676407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).