1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea

C14H21N3O — CID 712045

IUPAC1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea
SMILESO=C(NCCc1ccncc1)NC1CCCCC1
InChIInChI=1S/C14H21N3O/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h6-7,9-10,13H,1-5,8,11H2,(H2,16,17,18)
InChIKeyXUPGANVQJLTRNJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds4

About 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea

1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea (PubChem CID 712045) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea
PubChem CID712045
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea
SMILESO=C(NCCc1ccncc1)NC1CCCCC1
InChIInChI=1S/C14H21N3O/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h6-7,9-10,13H,1-5,8,11H2,(H2,16,17,18)
InChIKeyXUPGANVQJLTRNJ-UHFFFAOYSA-N
XLogP2.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea (CID 712045) is 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea is O=C(NCCc1ccncc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea?
The InChIKey is XUPGANVQJLTRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h6-7,9-10,13H,1-5,8,11H2,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea?
1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea has a molecular weight of 247.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 712045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).