1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea

C13H19N3O — CID 4745135

IUPAC1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NC2CCCCC2)n1
InChIInChI=1S/C13H19N3O/c1-10-6-5-9-12(14-10)16-13(17)15-11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyWHSBPIVGRFZYDM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.84
Rot. Bonds2

About 1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea

1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea (PubChem CID 4745135) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea
PubChem CID4745135
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NC2CCCCC2)n1
InChIInChI=1S/C13H19N3O/c1-10-6-5-9-12(14-10)16-13(17)15-11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyWHSBPIVGRFZYDM-UHFFFAOYSA-N
XLogP2.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea (CID 4745135) is 1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)NC2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is WHSBPIVGRFZYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-6-5-9-12(14-10)16-13(17)15-11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea?
1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 233.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 4745135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).