1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea

C16H19N3O2 — CID 61346268

IUPAC1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
SMILESCC(O)c1ccc(NC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C16H19N3O2/c1-12(20)13-5-7-15(8-6-13)19-16(21)18-11-9-14-4-2-3-10-17-14/h2-8,10,12,20H,9,11H2,1H3,(H2,18,19,21)
InChIKeyYWVJFEDALAZCEI-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.50
Rot. Bonds5

About 1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea

1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea (PubChem CID 61346268) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
PubChem CID61346268
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
SMILESCC(O)c1ccc(NC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C16H19N3O2/c1-12(20)13-5-7-15(8-6-13)19-16(21)18-11-9-14-4-2-3-10-17-14/h2-8,10,12,20H,9,11H2,1H3,(H2,18,19,21)
InChIKeyYWVJFEDALAZCEI-UHFFFAOYSA-N
XLogP2.50
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)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-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 71991875
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95316769
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 75520831
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea
CID 47032533
1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea
CID 75514707
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea (CID 61346268) is 1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea is CC(O)c1ccc(NC(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is YWVJFEDALAZCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(20)13-5-7-15(8-6-13)19-16(21)18-11-9-14-4-2-3-10-17-14/h2-8,10,12,20H,9,11H2,1H3,(H2,18,19,21).
What are the key properties of 1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 285.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 61346268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).