3-amino-1-cyclohexylpyridin-4-one

C11H16N2O — CID 165482212

IUPAC3-amino-1-cyclohexylpyridin-4-one
SMILESNc1cn(C2CCCCC2)ccc1=O
InChIInChI=1S/C11H16N2O/c12-10-8-13(7-6-11(10)14)9-4-2-1-3-5-9/h6-9H,1-5,12H2
InChIKeyXMIBGTDUTWFIRB-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.94
Rot. Bonds1

About 3-amino-1-cyclohexylpyridin-4-one

3-amino-1-cyclohexylpyridin-4-one (PubChem CID 165482212) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-amino-1-cyclohexylpyridin-4-one.

Molecular Properties

Compound Name3-amino-1-cyclohexylpyridin-4-one
PubChem CID165482212
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-amino-1-cyclohexylpyridin-4-one
SMILESNc1cn(C2CCCCC2)ccc1=O
InChIInChI=1S/C11H16N2O/c12-10-8-13(7-6-11(10)14)9-4-2-1-3-5-9/h6-9H,1-5,12H2
InChIKeyXMIBGTDUTWFIRB-UHFFFAOYSA-N
XLogP1.94
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(thiolan-3-yl)pyridin-4-one
CID 165472423
3-bromo-1-cyclohexylpyrrole
CID 130138596
1-cyclooctyl-3-cyclopropylpyrrole
CID 175283510
5-amino-1-cyclopentylpyrimidin-4-one
CID 115114540
1-cyclopropylpyrrol-3-amine
CID 130138774
3-amino-1-methylpyridin-4-one
CID 55282111
3-amino-1-(oxan-2-ylmethyl)pyridin-4-one
CID 82990845
5-[(1-cyclopentylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 50854111
3,5-diamino-1-cyclohexylpyridin-2-one
CID 105460853
3-amino-1-(2-cyclobutylpropyl)pyridin-4-one
CID 165482021
5-amino-1-cyclohexyl-6-methylpyridin-2-one
CID 165473593
5-[(1-cyclopentylpyrrol-3-yl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 50854130

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclohexylpyridin-4-one?
The IUPAC name of 3-amino-1-cyclohexylpyridin-4-one (CID 165482212) is 3-amino-1-cyclohexylpyridin-4-one.
What is the SMILES notation for 3-amino-1-cyclohexylpyridin-4-one?
The canonical SMILES for 3-amino-1-cyclohexylpyridin-4-one is Nc1cn(C2CCCCC2)ccc1=O.
What is the InChIKey of 3-amino-1-cyclohexylpyridin-4-one?
The InChIKey is XMIBGTDUTWFIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-10-8-13(7-6-11(10)14)9-4-2-1-3-5-9/h6-9H,1-5,12H2.
What are the key properties of 3-amino-1-cyclohexylpyridin-4-one?
3-amino-1-cyclohexylpyridin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclohexylpyridin-4-one is sourced from PubChem (CID 165482212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).