1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea

C12H17N3O2 — CID 51105726

IUPAC1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)NC1CCCCC1O
InChIInChI=1S/C12H17N3O2/c16-10-6-2-1-5-9(10)14-12(17)15-11-7-3-4-8-13-11/h3-4,7-10,16H,1-2,5-6H2,(H2,13,14,15,17)
InChIKeyPJMQZPUDDVJUFR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.51
Rot. Bonds2

About 1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea

1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea (PubChem CID 51105726) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea
PubChem CID51105726
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)NC1CCCCC1O
InChIInChI=1S/C12H17N3O2/c16-10-6-2-1-5-9(10)14-12(17)15-11-7-3-4-8-13-11/h3-4,7-10,16H,1-2,5-6H2,(H2,13,14,15,17)
InChIKeyPJMQZPUDDVJUFR-UHFFFAOYSA-N
XLogP1.51
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea
CID 154852000
N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide
CID 108524992
1-(4-chloro-1,1-dioxothiolan-3-yl)-3-pyridin-2-ylurea
CID 102566807
1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea
CID 75399805
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 104956902
cyclohexyl N-pyridin-2-ylcarbamate
CID 127539206
cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 756841
1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea
CID 110933007
1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 99830772
N-(2-methylcyclohexyl)pyridin-2-amine
CID 43079705

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea (CID 51105726) is 1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea is O=C(Nc1ccccn1)NC1CCCCC1O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea?
The InChIKey is PJMQZPUDDVJUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-10-6-2-1-5-9(10)14-12(17)15-11-7-3-4-8-13-11/h3-4,7-10,16H,1-2,5-6H2,(H2,13,14,15,17).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea?
1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea has a molecular weight of 235.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea is sourced from PubChem (CID 51105726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).