1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea

C15H17N3O2 — CID 75503769

IUPAC1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)NC(CO)c2ccccc2)c1
InChIInChI=1S/C15H17N3O2/c1-11-7-8-16-14(9-11)18-15(20)17-13(10-19)12-5-3-2-4-6-12/h2-9,13,19H,10H2,1H3,(H2,16,17,18,20)
InChIKeyNCIHBNCBYUGGOT-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.25
Rot. Bonds4

About 1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea

1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea (PubChem CID 75503769) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea
PubChem CID75503769
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)NC(CO)c2ccccc2)c1
InChIInChI=1S/C15H17N3O2/c1-11-7-8-16-14(9-11)18-15(20)17-13(10-19)12-5-3-2-4-6-12/h2-9,13,19H,10H2,1H3,(H2,16,17,18,20)
InChIKeyNCIHBNCBYUGGOT-UHFFFAOYSA-N
XLogP2.25
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea (CID 75503769) is 1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea is Cc1ccnc(NC(=O)NC(CO)c2ccccc2)c1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea?
The InChIKey is NCIHBNCBYUGGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-7-8-16-14(9-11)18-15(20)17-13(10-19)12-5-3-2-4-6-12/h2-9,13,19H,10H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea?
1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.25, 4 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-methyl-2-pyridinyl)urea is sourced from PubChem (CID 75503769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).