3,5-diamino-1-cyclohexylpyridin-2-one

C11H17N3O — CID 105460853

IUPAC3,5-diamino-1-cyclohexylpyridin-2-one
SMILESNc1cc(N)c(=O)n(C2CCCCC2)c1
InChIInChI=1S/C11H17N3O/c12-8-6-10(13)11(15)14(7-8)9-4-2-1-3-5-9/h6-7,9H,1-5,12-13H2
InChIKeyBCCOMCSIKCLZES-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.52
Rot. Bonds1

About 3,5-diamino-1-cyclohexylpyridin-2-one

3,5-diamino-1-cyclohexylpyridin-2-one (PubChem CID 105460853) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3,5-diamino-1-cyclohexylpyridin-2-one.

Molecular Properties

Compound Name3,5-diamino-1-cyclohexylpyridin-2-one
PubChem CID105460853
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3,5-diamino-1-cyclohexylpyridin-2-one
SMILESNc1cc(N)c(=O)n(C2CCCCC2)c1
InChIInChI=1S/C11H17N3O/c12-8-6-10(13)11(15)14(7-8)9-4-2-1-3-5-9/h6-7,9H,1-5,12-13H2
InChIKeyBCCOMCSIKCLZES-UHFFFAOYSA-N
XLogP1.52
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-1-cyclohexylpyridin-2-one?
The IUPAC name of 3,5-diamino-1-cyclohexylpyridin-2-one (CID 105460853) is 3,5-diamino-1-cyclohexylpyridin-2-one.
What is the SMILES notation for 3,5-diamino-1-cyclohexylpyridin-2-one?
The canonical SMILES for 3,5-diamino-1-cyclohexylpyridin-2-one is Nc1cc(N)c(=O)n(C2CCCCC2)c1.
What is the InChIKey of 3,5-diamino-1-cyclohexylpyridin-2-one?
The InChIKey is BCCOMCSIKCLZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-8-6-10(13)11(15)14(7-8)9-4-2-1-3-5-9/h6-7,9H,1-5,12-13H2.
What are the key properties of 3,5-diamino-1-cyclohexylpyridin-2-one?
3,5-diamino-1-cyclohexylpyridin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-1-cyclohexylpyridin-2-one is sourced from PubChem (CID 105460853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).