1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea

C13H13N3O2 — CID 108871496

IUPAC1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2ccccc2O)n1
InChIInChI=1S/C13H13N3O2/c1-9-5-4-8-12(14-9)16-13(18)15-10-6-2-3-7-11(10)17/h2-8,17H,1H3,(H2,14,15,16,18)
InChIKeyJPBZZCDPEMELGO-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.74
Rot. Bonds2

About 1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea

1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea (PubChem CID 108871496) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea
PubChem CID108871496
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2ccccc2O)n1
InChIInChI=1S/C13H13N3O2/c1-9-5-4-8-12(14-9)16-13(18)15-10-6-2-3-7-11(10)17/h2-8,17H,1H3,(H2,14,15,16,18)
InChIKeyJPBZZCDPEMELGO-UHFFFAOYSA-N
XLogP2.74
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea
CID 18582270
N-(2-methylphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997672
1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
N'-(2-hydroxy-5-methylphenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108522685
N-(2-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997668
1-(2,4-dimethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 769338
2-acetamido-N-(6-methyl-2-pyridinyl)benzamide
CID 3354177
1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887379
1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
CID 10561311
1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea
CID 6465275
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
2-amino-N-(6-methyl-2-pyridinyl)propanamide
CID 60731757

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea (CID 108871496) is 1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)Nc2ccccc2O)n1.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is JPBZZCDPEMELGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-5-4-8-12(14-9)16-13(18)15-10-6-2-3-7-11(10)17/h2-8,17H,1H3,(H2,14,15,16,18).
What are the key properties of 1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea?
1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 243.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108871496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).