[4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea

C16H19N3O2 — CID 70975371

IUPAC[4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea
SMILESCc1ccccc1CC(C)(O)c1ccnc(NC(N)=O)c1
InChIInChI=1S/C16H19N3O2/c1-11-5-3-4-6-12(11)10-16(2,21)13-7-8-18-14(9-13)19-15(17)20/h3-9,21H,10H2,1-2H3,(H3,17,18,19,20)
InChIKeyKZMJTRHBGYEJTN-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.33
Rot. Bonds4

About [4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea

[4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea (PubChem CID 70975371) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea.

Molecular Properties

Compound Name[4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea
PubChem CID70975371
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea
SMILESCc1ccccc1CC(C)(O)c1ccnc(NC(N)=O)c1
InChIInChI=1S/C16H19N3O2/c1-11-5-3-4-6-12(11)10-16(2,21)13-7-8-18-14(9-13)19-15(17)20/h3-9,21H,10H2,1-2H3,(H3,17,18,19,20)
InChIKeyKZMJTRHBGYEJTN-UHFFFAOYSA-N
XLogP2.33
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-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

Frequently Asked Questions

What is the IUPAC name of [4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea?
The IUPAC name of [4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea (CID 70975371) is [4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea.
What is the SMILES notation for [4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea?
The canonical SMILES for [4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea is Cc1ccccc1CC(C)(O)c1ccnc(NC(N)=O)c1.
What is the InChIKey of [4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea?
The InChIKey is KZMJTRHBGYEJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-5-3-4-6-12(11)10-16(2,21)13-7-8-18-14(9-13)19-15(17)20/h3-9,21H,10H2,1-2H3,(H3,17,18,19,20).
What are the key properties of [4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea?
[4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea has a molecular weight of 285.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-hydroxy-1-(2-methylphenyl)propan-2-yl]-2-pyridinyl]urea is sourced from PubChem (CID 70975371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).