1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea

C20H19N3O2 — CID 56593240

IUPAC1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea
SMILESO=C(Nc1ccc(-c2ccncc2)cc1)NC(CO)c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-14-19(17-4-2-1-3-5-17)23-20(25)22-18-8-6-15(7-9-18)16-10-12-21-13-11-16/h1-13,19,24H,14H2,(H2,22,23,25)
InChIKeyWDTFYYZHMRBVHK-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.60
Rot. Bonds5

About 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea

1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea (PubChem CID 56593240) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea
PubChem CID56593240
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea
SMILESO=C(Nc1ccc(-c2ccncc2)cc1)NC(CO)c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-14-19(17-4-2-1-3-5-17)23-20(25)22-18-8-6-15(7-9-18)16-10-12-21-13-11-16/h1-13,19,24H,14H2,(H2,22,23,25)
InChIKeyWDTFYYZHMRBVHK-UHFFFAOYSA-N
XLogP3.60
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)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-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea
CID 167295399
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 56826995
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea
CID 96562726
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111475376
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(2-methylsulfanylethyl)phenyl]urea
CID 111103769
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
[2-phenyl-2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetyl] 2,2,2-trifluoroacetate
CID 174568511
1-benzhydryl-3-(4-phenylphenyl)urea
CID 108867015

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea (CID 56593240) is 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea is O=C(Nc1ccc(-c2ccncc2)cc1)NC(CO)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea?
The InChIKey is WDTFYYZHMRBVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-14-19(17-4-2-1-3-5-17)23-20(25)22-18-8-6-15(7-9-18)16-10-12-21-13-11-16/h1-13,19,24H,14H2,(H2,22,23,25).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea?
1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea has a molecular weight of 333.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea is sourced from PubChem (CID 56593240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).