1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

C12H18BrN3O3 — CID 111926883

IUPAC1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCn1cc(Br)cc(NC(=O)NC(C)(C)CCO)c1=O
InChIInChI=1S/C12H18BrN3O3/c1-12(2,4-5-17)15-11(19)14-9-6-8(13)7-16(3)10(9)18/h6-7,17H,4-5H2,1-3H3,(H2,14,15,19)
InChIKeyXARBYZOKAWVIQB-UHFFFAOYSA-N
MW332.20 g/mol
LogP1.43
Rot. Bonds4

About 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111926883) has the molecular formula C12H18BrN3O3 and a molecular weight of 332.20 g/mol. Its IUPAC name is 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111926883
Molecular FormulaC12H18BrN3O3
Molecular Weight332.20 g/mol
Exact Mass331.05
IUPAC Name1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCn1cc(Br)cc(NC(=O)NC(C)(C)CCO)c1=O
InChIInChI=1S/C12H18BrN3O3/c1-12(2,4-5-17)15-11(19)14-9-6-8(13)7-16(3)10(9)18/h6-7,17H,4-5H2,1-3H3,(H2,14,15,19)
InChIKeyXARBYZOKAWVIQB-UHFFFAOYSA-N
XLogP1.43
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (CID 111926883) is 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is Cn1cc(Br)cc(NC(=O)NC(C)(C)CCO)c1=O.
What is the InChIKey of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is XARBYZOKAWVIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O3/c1-12(2,4-5-17)15-11(19)14-9-6-8(13)7-16(3)10(9)18/h6-7,17H,4-5H2,1-3H3,(H2,14,15,19).
What are the key properties of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 332.20 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111926883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).