1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea

C14H15N3O2 — CID 86818366

IUPAC1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(O)c(C)c2)ccn1
InChIInChI=1S/C14H15N3O2/c1-9-7-11(3-4-13(9)18)16-14(19)17-12-5-6-15-10(2)8-12/h3-8,18H,1-2H3,(H2,15,16,17,19)
InChIKeyWEMZAULAEDFQSI-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.05
Rot. Bonds2

About 1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea

1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea (PubChem CID 86818366) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea
PubChem CID86818366
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(O)c(C)c2)ccn1
InChIInChI=1S/C14H15N3O2/c1-9-7-11(3-4-13(9)18)16-14(19)17-12-5-6-15-10(2)8-12/h3-8,18H,1-2H3,(H2,15,16,17,19)
InChIKeyWEMZAULAEDFQSI-UHFFFAOYSA-N
XLogP3.05
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
CID 110755160
1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea
CID 84521860
N-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol
CID 20979783
(2R)-2-hydroxy-N-(2-methyl-4-pyridinyl)propanamide
CID 131207206
methyl N-(2-methyl-4-pyridinyl)carbamate
CID 110756833
2-acetamido-N-(2-methyl-4-pyridinyl)acetamide
CID 110687090
3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid
CID 122088409
2-methyl-N-(2-methyl-4-pyridinyl)prop-2-enamide
CID 174936648
4-(methylamino)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240980
1-(2-methyl-4-pyridinyl)-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)urea
CID 160741302
N-(2-methyl-4-pyridinyl)butanamide
CID 78910950
1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 86795263

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea?
The IUPAC name of 1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea (CID 86818366) is 1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea is Cc1cc(NC(=O)Nc2ccc(O)c(C)c2)ccn1.
What is the InChIKey of 1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea?
The InChIKey is WEMZAULAEDFQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-7-11(3-4-13(9)18)16-14(19)17-12-5-6-15-10(2)8-12/h3-8,18H,1-2H3,(H2,15,16,17,19).
What are the key properties of 1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea?
1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea has a molecular weight of 257.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea is sourced from PubChem (CID 86818366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).