1-cyclohexyl-3-(pyridin-3-ylmethyl)urea

C13H19N3O — CID 650313

IUPAC1-cyclohexyl-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NC1CCCCC1
InChIInChI=1S/C13H19N3O/c17-13(16-12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11/h4-5,8-9,12H,1-3,6-7,10H2,(H2,15,16,17)
InChIKeyXXSTXXTVGPRZSU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds3

About 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea

1-cyclohexyl-3-(pyridin-3-ylmethyl)urea (PubChem CID 650313) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(pyridin-3-ylmethyl)urea
PubChem CID650313
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-cyclohexyl-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NC1CCCCC1
InChIInChI=1S/C13H19N3O/c17-13(16-12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11/h4-5,8-9,12H,1-3,6-7,10H2,(H2,15,16,17)
InChIKeyXXSTXXTVGPRZSU-UHFFFAOYSA-N
XLogP2.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea (CID 650313) is 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea?
The InChIKey is XXSTXXTVGPRZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13(16-12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11/h4-5,8-9,12H,1-3,6-7,10H2,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea?
1-cyclohexyl-3-(pyridin-3-ylmethyl)urea has a molecular weight of 233.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 650313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).