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

C13H19N3O2 — CID 110748319

IUPAC1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea
SMILESCn1cc(NC(=O)NC2CCCCC2)ccc1=O
InChIInChI=1S/C13H19N3O2/c1-16-9-11(7-8-12(16)17)15-13(18)14-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,14,15,18)
InChIKeyQCWZGIDQFUNTKJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.84
Rot. Bonds2

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

1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea (PubChem CID 110748319) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea
PubChem CID110748319
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea
SMILESCn1cc(NC(=O)NC2CCCCC2)ccc1=O
InChIInChI=1S/C13H19N3O2/c1-16-9-11(7-8-12(16)17)15-13(18)14-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,14,15,18)
InChIKeyQCWZGIDQFUNTKJ-UHFFFAOYSA-N
XLogP1.84
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-cyclohexyl-3-(4-cyclopentylphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea?
The IUPAC name of 1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea (CID 110748319) is 1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea is Cn1cc(NC(=O)NC2CCCCC2)ccc1=O.
What is the InChIKey of 1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea?
The InChIKey is QCWZGIDQFUNTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-9-11(7-8-12(16)17)15-13(18)14-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,14,15,18).
What are the key properties of 1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea?
1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea has a molecular weight of 249.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea is sourced from PubChem (CID 110748319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).