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

C10H14BrN3O3 — CID 111926881

IUPAC1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea
SMILESCn1cc(Br)cc(NC(=O)NCCCO)c1=O
InChIInChI=1S/C10H14BrN3O3/c1-14-6-7(11)5-8(9(14)16)13-10(17)12-3-2-4-15/h5-6,15H,2-4H2,1H3,(H2,12,13,17)
InChIKeyJHDJMTHCVYBZGN-UHFFFAOYSA-N
MW304.14 g/mol
LogP0.65
Rot. Bonds4

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

1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea (PubChem CID 111926881) has the molecular formula C10H14BrN3O3 and a molecular weight of 304.14 g/mol. Its IUPAC name is 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea
PubChem CID111926881
Molecular FormulaC10H14BrN3O3
Molecular Weight304.14 g/mol
Exact Mass303.02
IUPAC Name1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea
SMILESCn1cc(Br)cc(NC(=O)NCCCO)c1=O
InChIInChI=1S/C10H14BrN3O3/c1-14-6-7(11)5-8(9(14)16)13-10(17)12-3-2-4-15/h5-6,15H,2-4H2,1H3,(H2,12,13,17)
InChIKeyJHDJMTHCVYBZGN-UHFFFAOYSA-N
XLogP0.65
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111926870
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-(4-hydroxy-2-methylpentyl)urea
CID 111926873
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95974856
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide
CID 100666015
4-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 103767831
1-(2-bromo-4-methyl-5-nitrophenyl)-3-(3-hydroxypropyl)urea
CID 75503857
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
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
CID 154739095
1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea
CID 119026718

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea (CID 111926881) is 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea is Cn1cc(Br)cc(NC(=O)NCCCO)c1=O.
What is the InChIKey of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea?
The InChIKey is JHDJMTHCVYBZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3/c1-14-6-7(11)5-8(9(14)16)13-10(17)12-3-2-4-15/h5-6,15H,2-4H2,1H3,(H2,12,13,17).
What are the key properties of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea?
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea has a molecular weight of 304.14 g/mol, XLogP of 0.65, 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-(3-hydroxypropyl)urea is sourced from PubChem (CID 111926881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).