[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea

C15H17N3O2 — CID 69083506

IUPAC[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea
SMILESCc1ccc(C(O)Cc2ccnc(NC(N)=O)c2)cc1
InChIInChI=1S/C15H17N3O2/c1-10-2-4-12(5-3-10)13(19)8-11-6-7-17-14(9-11)18-15(16)20/h2-7,9,13,19H,8H2,1H3,(H3,16,17,18,20)
InChIKeyYJAJWCFQTMCXQQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.16
Rot. Bonds4

About [4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea

[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea (PubChem CID 69083506) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is [4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea.

Molecular Properties

Compound Name[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea
PubChem CID69083506
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea
SMILESCc1ccc(C(O)Cc2ccnc(NC(N)=O)c2)cc1
InChIInChI=1S/C15H17N3O2/c1-10-2-4-12(5-3-10)13(19)8-11-6-7-17-14(9-11)18-15(16)20/h2-7,9,13,19H,8H2,1H3,(H3,16,17,18,20)
InChIKeyYJAJWCFQTMCXQQ-UHFFFAOYSA-N
XLogP2.16
TPSA88.24 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 ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-((2-Pyridinylamino)methyl)benzenemethanol
CID 9470
Phenyramidol Hydrochloride
CID 9469
N-[7-[5-(1-hydroxyethyl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410976
1-Piperazinepropanamide, N-(4-(1-hydroxyethyl)phenyl)-4-(2-pyridinyl)-
CID 3070505
N-(3-{hydroxy[3-(trifluoromethyl)phenyl]methyl}-2-pyridinyl)-2,2-dimethylpropanamide
CID 5183038
N-[7-(1-Hydroxy-ethyl)-isoquinolin-1-yl]-guanidine
CID 44339260
6-[5-(1-Hydroxy-ethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide
CID 86305666
4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305855
6-[4-(1-Hydroxy-ethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide
CID 117667671
6-[4-(hydroxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667854
Benzyl alcohol, alpha-(2-(2-pyridylamino)ethyl)-, hydrochloride
CID 15980
2-(Boc-amino)-4-(hydroxymethyl)pyridine
CID 23151001

Frequently Asked Questions

What is the IUPAC name of [4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea?
The IUPAC name of [4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea (CID 69083506) is [4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea.
What is the SMILES notation for [4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea?
The canonical SMILES for [4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea is Cc1ccc(C(O)Cc2ccnc(NC(N)=O)c2)cc1.
What is the InChIKey of [4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea?
The InChIKey is YJAJWCFQTMCXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-2-4-12(5-3-10)13(19)8-11-6-7-17-14(9-11)18-15(16)20/h2-7,9,13,19H,8H2,1H3,(H3,16,17,18,20).
What are the key properties of [4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea?
[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea has a molecular weight of 271.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea is sourced from PubChem (CID 69083506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).