1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea

C16H19N3O2 — CID 111121985

IUPAC1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)N(CCO)CCc1ccccc1
InChIInChI=1S/C16H19N3O2/c20-12-11-19(10-8-14-5-2-1-3-6-14)16(21)18-15-7-4-9-17-13-15/h1-7,9,13,20H,8,10-12H2,(H,18,21)
InChIKeyAEOOQTKWLOZDBA-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.15
Rot. Bonds6

About 1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea

1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea (PubChem CID 111121985) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea
PubChem CID111121985
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)N(CCO)CCc1ccccc1
InChIInChI=1S/C16H19N3O2/c20-12-11-19(10-8-14-5-2-1-3-6-14)16(21)18-15-7-4-9-17-13-15/h1-7,9,13,20H,8,10-12H2,(H,18,21)
InChIKeyAEOOQTKWLOZDBA-UHFFFAOYSA-N
XLogP2.15
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea
CID 60591438
N-(2-hydroxyethyl)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 111122126
3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
CID 61187084
3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111102179
3-[[2-[2-[benzyl(2-hydroxyethyl)carbamoyl]phenyl]benzoyl]-(2-pyridin-3-ylethyl)amino]propanoic acid
CID 69432761
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea
CID 47815542
1-[(2-methylphenyl)methyl]-3-pyridin-3-yl-1-(pyridin-3-ylmethyl)urea
CID 47075709
3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111022328
1-phenyl-1-propyl-3-pyridin-3-ylurea
CID 30845452
N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide
CID 51362474
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 60554553

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea (CID 111121985) is 1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea is O=C(Nc1cccnc1)N(CCO)CCc1ccccc1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea?
The InChIKey is AEOOQTKWLOZDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-12-11-19(10-8-14-5-2-1-3-6-14)16(21)18-15-7-4-9-17-13-15/h1-7,9,13,20H,8,10-12H2,(H,18,21).
What are the key properties of 1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea?
1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea has a molecular weight of 285.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 111121985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).