1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride

C12H12ClN3O3 — CID 134121177

IUPAC1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride
SMILESCl.O=C(Nc1ccccc1)Nc1ccn(O)c(=O)c1
InChIInChI=1S/C12H11N3O3.ClH/c16-11-8-10(6-7-15(11)18)14-12(17)13-9-4-2-1-3-5-9;/h1-8,18H,(H2,13,14,17);1H
InChIKeyWUFXSBDIFALEIA-UHFFFAOYSA-N
MW281.70 g/mol
LogP2.15
Rot. Bonds2

About 1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride

1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride (PubChem CID 134121177) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is 1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride.

Molecular Properties

Compound Name1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride
PubChem CID134121177
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC Name1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride
SMILESCl.O=C(Nc1ccccc1)Nc1ccn(O)c(=O)c1
InChIInChI=1S/C12H11N3O3.ClH/c16-11-8-10(6-7-15(11)18)14-12(17)13-9-4-2-1-3-5-9;/h1-8,18H,(H2,13,14,17);1H
InChIKeyWUFXSBDIFALEIA-UHFFFAOYSA-N
XLogP2.15
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
CID 45259292
1-(9,10-dioxoanthracen-2-yl)-3-phenylurea
CID 14250673
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
2,2-diphenyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 18293083
1-(3,5-dibromophenyl)-3-phenylurea
CID 25129837
1-(3-diphenylphosphanylphenyl)-3-phenylurea
CID 71413565
1-benzylsulfonyl-3-phenylurea
CID 22715536
2-hydroxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 112810264
1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea
CID 110405906
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
1-anthracen-9-yl-3-phenylurea
CID 102213486

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride?
The IUPAC name of 1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride (CID 134121177) is 1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride.
What is the SMILES notation for 1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride?
The canonical SMILES for 1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride is Cl.O=C(Nc1ccccc1)Nc1ccn(O)c(=O)c1.
What is the InChIKey of 1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride?
The InChIKey is WUFXSBDIFALEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3.ClH/c16-11-8-10(6-7-15(11)18)14-12(17)13-9-4-2-1-3-5-9;/h1-8,18H,(H2,13,14,17);1H.
What are the key properties of 1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride?
1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride has a molecular weight of 281.70 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride is sourced from PubChem (CID 134121177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).