1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea

C13H13N3O2 — CID 54070564

IUPAC1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea
SMILESCc1cc(=NC(=O)Nc2ccccc2)ccn1O
InChIInChI=1S/C13H13N3O2/c1-10-9-12(7-8-16(10)18)15-13(17)14-11-5-3-2-4-6-11/h2-9,18H,1H3,(H,14,17)
InChIKeyCHGJNIBNQLYCSX-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.17
Rot. Bonds1

About 1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea

1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea (PubChem CID 54070564) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea
PubChem CID54070564
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea
SMILESCc1cc(=NC(=O)Nc2ccccc2)ccn1O
InChIInChI=1S/C13H13N3O2/c1-10-9-12(7-8-16(10)18)15-13(17)14-11-5-3-2-4-6-11/h2-9,18H,1H3,(H,14,17)
InChIKeyCHGJNIBNQLYCSX-UHFFFAOYSA-N
XLogP2.17
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1-(1-hydroxy-2-phenyl-4-pyridinylidene)-3-phenylurea
CID 134097848
(1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea
CID 134095397
(1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea
CID 134122504
1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea
CID 54374887
(1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea
CID 134113276
1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride
CID 134121177
1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea
CID 54424116
1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea
CID 134114156
(1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea
CID 137225686
cobalt;N-phenylacetamide
CID 158689050
(1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea
CID 135501318
carbamothioic S-acid;phenylcarbamothioic S-acid;propanenitrile
CID 146585965

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea?
The IUPAC name of 1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea (CID 54070564) is 1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea.
What is the SMILES notation for 1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea?
The canonical SMILES for 1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea is Cc1cc(=NC(=O)Nc2ccccc2)ccn1O.
What is the InChIKey of 1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea?
The InChIKey is CHGJNIBNQLYCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-10-9-12(7-8-16(10)18)15-13(17)14-11-5-3-2-4-6-11/h2-9,18H,1H3,(H,14,17).
What are the key properties of 1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea?
1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea has a molecular weight of 243.27 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea is sourced from PubChem (CID 54070564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).