3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea

C14H20ClN3O2 — CID 72932044

IUPAC3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1ccc(Cl)nc1)N(CCO)C1CCCCC1
InChIInChI=1S/C14H20ClN3O2/c15-13-7-6-11(10-16-13)17-14(20)18(8-9-19)12-4-2-1-3-5-12/h6-7,10,12,19H,1-5,8-9H2,(H,17,20)
InChIKeyRHOTVNISTWHRQV-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.89
Rot. Bonds4

About 3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea

3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea (PubChem CID 72932044) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea
PubChem CID72932044
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1ccc(Cl)nc1)N(CCO)C1CCCCC1
InChIInChI=1S/C14H20ClN3O2/c15-13-7-6-11(10-16-13)17-14(20)18(8-9-19)12-4-2-1-3-5-12/h6-7,10,12,19H,1-5,8-9H2,(H,17,20)
InChIKeyRHOTVNISTWHRQV-UHFFFAOYSA-N
XLogP2.89
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(6-chloro-3-pyridinyl)-1-(2-hydroxyethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111383083
1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 54944714
1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 43429992
2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865423
N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide
CID 54788342
N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide
CID 113231839
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
CID 54999134
1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea
CID 63766530
6-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61046307
5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 102865413
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114301
3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111437751

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea (CID 72932044) is 3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea is O=C(Nc1ccc(Cl)nc1)N(CCO)C1CCCCC1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea?
The InChIKey is RHOTVNISTWHRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-13-7-6-11(10-16-13)17-14(20)18(8-9-19)12-4-2-1-3-5-12/h6-7,10,12,19H,1-5,8-9H2,(H,17,20).
What are the key properties of 3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea?
3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea has a molecular weight of 297.79 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 72932044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).