1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea

C14H15N3O2 — CID 23996231

IUPAC1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
SMILESO=C(NCC(O)c1cccnc1)Nc1ccccc1
InChIInChI=1S/C14H15N3O2/c18-13(11-5-4-8-15-9-11)10-16-14(19)17-12-6-2-1-3-7-12/h1-9,13,18H,10H2,(H2,16,17,19)
InChIKeyDJSJBSVDEZNCAQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.94
Rot. Bonds4

About 1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea

1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea (PubChem CID 23996231) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
PubChem CID23996231
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
SMILESO=C(NCC(O)c1cccnc1)Nc1ccccc1
InChIInChI=1S/C14H15N3O2/c18-13(11-5-4-8-15-9-11)10-16-14(19)17-12-6-2-1-3-7-12/h1-9,13,18H,10H2,(H2,16,17,19)
InChIKeyDJSJBSVDEZNCAQ-UHFFFAOYSA-N
XLogP1.94
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea
CID 5211914
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea
CID 97237571
1-[4-[[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]sulfamoyl]phenyl]-3-(2-phenylethyl)urea
CID 19420719
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea
CID 18101910
1-[2-(azepan-1-yl)-2-phenylethyl]-3-pyridin-3-ylurea
CID 118775624
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
2-(2-phenylethylamino)-1-pyridin-3-ylethanol
CID 20826867
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea?
The IUPAC name of 1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea (CID 23996231) is 1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea.
What is the SMILES notation for 1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea?
The canonical SMILES for 1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea is O=C(NCC(O)c1cccnc1)Nc1ccccc1.
What is the InChIKey of 1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea?
The InChIKey is DJSJBSVDEZNCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13(11-5-4-8-15-9-11)10-16-14(19)17-12-6-2-1-3-7-12/h1-9,13,18H,10H2,(H2,16,17,19).
What are the key properties of 1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea?
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea has a molecular weight of 257.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea is sourced from PubChem (CID 23996231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).