1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea

C13H20BrN3O3 — CID 111926870

IUPAC1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)Nc1cc(Br)cn(C)c1=O
InChIInChI=1S/C13H20BrN3O3/c1-4-13(20,5-2)8-15-12(19)16-10-6-9(14)7-17(3)11(10)18/h6-7,20H,4-5,8H2,1-3H3,(H2,15,16,19)
InChIKeyOFPYVYCYENHEHK-UHFFFAOYSA-N
MW346.23 g/mol
LogP1.82
Rot. Bonds5

About 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea

1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea (PubChem CID 111926870) has the molecular formula C13H20BrN3O3 and a molecular weight of 346.23 g/mol. Its IUPAC name is 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea
PubChem CID111926870
Molecular FormulaC13H20BrN3O3
Molecular Weight346.23 g/mol
Exact Mass345.07
IUPAC Name1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)Nc1cc(Br)cn(C)c1=O
InChIInChI=1S/C13H20BrN3O3/c1-4-13(20,5-2)8-15-12(19)16-10-6-9(14)7-17(3)11(10)18/h6-7,20H,4-5,8H2,1-3H3,(H2,15,16,19)
InChIKeyOFPYVYCYENHEHK-UHFFFAOYSA-N
XLogP1.82
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea
CID 111926881
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111926873
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926883
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95974856
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide
CID 100666015
tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate
CID 159975418
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
CID 154739095
1-(2-ethyl-2-hydroxybutyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111103660
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N'-but-3-enylethanimidamide
CID 89033746
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 71860164
4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 65103767
ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate
CID 58729035

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea?
The IUPAC name of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea (CID 111926870) is 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea.
What is the SMILES notation for 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea?
The canonical SMILES for 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea is CCC(O)(CC)CNC(=O)Nc1cc(Br)cn(C)c1=O.
What is the InChIKey of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea?
The InChIKey is OFPYVYCYENHEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3/c1-4-13(20,5-2)8-15-12(19)16-10-6-9(14)7-17(3)11(10)18/h6-7,20H,4-5,8H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea?
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea has a molecular weight of 346.23 g/mol, XLogP of 1.82, 5 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-(2-ethyl-2-hydroxybutyl)urea is sourced from PubChem (CID 111926870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).