(3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea

C13H19N3O2 — CID 134104984

IUPAC(3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea
SMILESCc1ccc/c(=N/C(=O)NC2CCCCC2)n1O
InChIInChI=1S/C13H19N3O2/c1-10-6-5-9-12(16(10)18)15-13(17)14-11-7-3-2-4-8-11/h5-6,9,11,18H,2-4,7-8H2,1H3,(H,14,17)/b15-12-
InChIKeyMCTIUFIYIVWYDL-QINSGFPZSA-N
MW249.31 g/mol
LogP1.98
Rot. Bonds1

About (3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea

(3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea (PubChem CID 134104984) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea.

Molecular Properties

Compound Name(3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea
PubChem CID134104984
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea
SMILESCc1ccc/c(=N/C(=O)NC2CCCCC2)n1O
InChIInChI=1S/C13H19N3O2/c1-10-6-5-9-12(16(10)18)15-13(17)14-11-7-3-2-4-8-11/h5-6,9,11,18H,2-4,7-8H2,1H3,(H,14,17)/b15-12-
InChIKeyMCTIUFIYIVWYDL-QINSGFPZSA-N
XLogP1.98
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
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CID 7541637
N-cyclooctyl-3-methylbenzamide
CID 966011
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369
2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide
CID 43304756
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-cyclohexyl-2-(2,6-difluoroanilino)acetamide
CID 28879040
(3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea
CID 135643498
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea?
The IUPAC name of (3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea (CID 134104984) is (3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea.
What is the SMILES notation for (3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea?
The canonical SMILES for (3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea is Cc1ccc/c(=N/C(=O)NC2CCCCC2)n1O.
What is the InChIKey of (3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea?
The InChIKey is MCTIUFIYIVWYDL-QINSGFPZSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-6-5-9-12(16(10)18)15-13(17)14-11-7-3-2-4-8-11/h5-6,9,11,18H,2-4,7-8H2,1H3,(H,14,17)/b15-12-.
What are the key properties of (3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea?
(3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea has a molecular weight of 249.31 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea is sourced from PubChem (CID 134104984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).