1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea

C14H21N3O2 — CID 110933231

IUPAC1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
SMILESO=C(NCCc1cccnc1)NC1CCCCC1O
InChIInChI=1S/C14H21N3O2/c18-13-6-2-1-5-12(13)17-14(19)16-9-7-11-4-3-8-15-10-11/h3-4,8,10,12-13,18H,1-2,5-7,9H2,(H2,16,17,19)
InChIKeyVAVXPBUBISFMNC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.23
Rot. Bonds4

About 1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea

1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea (PubChem CID 110933231) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
PubChem CID110933231
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
SMILESO=C(NCCc1cccnc1)NC1CCCCC1O
InChIInChI=1S/C14H21N3O2/c18-13-6-2-1-5-12(13)17-14(19)16-9-7-11-4-3-8-15-10-11/h3-4,8,10,12-13,18H,1-2,5-7,9H2,(H2,16,17,19)
InChIKeyVAVXPBUBISFMNC-UHFFFAOYSA-N
XLogP1.23
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817875
1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399173
4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61204419
1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 110933218
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea
CID 110895671
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902
1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea
CID 99831815
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
2-amino-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
CID 64822976
4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216562
2-piperidin-2-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 115160524
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea (CID 110933231) is 1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea is O=C(NCCc1cccnc1)NC1CCCCC1O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea?
The InChIKey is VAVXPBUBISFMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13-6-2-1-5-12(13)17-14(19)16-9-7-11-4-3-8-15-10-11/h3-4,8,10,12-13,18H,1-2,5-7,9H2,(H2,16,17,19).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea?
1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea has a molecular weight of 263.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 110933231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).