3-amino-1-(6-hydroxyhexyl)pyridin-4-one

C11H18N2O2 — CID 107703764

IUPAC3-amino-1-(6-hydroxyhexyl)pyridin-4-one
SMILESNc1cn(CCCCCCO)ccc1=O
InChIInChI=1S/C11H18N2O2/c12-10-9-13(7-5-11(10)15)6-3-1-2-4-8-14/h5,7,9,14H,1-4,6,8,12H2
InChIKeyZDJBLZQYEDWVRD-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.98
Rot. Bonds6

About 3-amino-1-(6-hydroxyhexyl)pyridin-4-one

3-amino-1-(6-hydroxyhexyl)pyridin-4-one (PubChem CID 107703764) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-1-(6-hydroxyhexyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(6-hydroxyhexyl)pyridin-4-one
PubChem CID107703764
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-amino-1-(6-hydroxyhexyl)pyridin-4-one
SMILESNc1cn(CCCCCCO)ccc1=O
InChIInChI=1S/C11H18N2O2/c12-10-9-13(7-5-11(10)15)6-3-1-2-4-8-14/h5,7,9,14H,1-4,6,8,12H2
InChIKeyZDJBLZQYEDWVRD-UHFFFAOYSA-N
XLogP0.98
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-hydroxyhexyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(6-hydroxyhexyl)pyridin-4-one (CID 107703764) is 3-amino-1-(6-hydroxyhexyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(6-hydroxyhexyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(6-hydroxyhexyl)pyridin-4-one is Nc1cn(CCCCCCO)ccc1=O.
What is the InChIKey of 3-amino-1-(6-hydroxyhexyl)pyridin-4-one?
The InChIKey is ZDJBLZQYEDWVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-10-9-13(7-5-11(10)15)6-3-1-2-4-8-14/h5,7,9,14H,1-4,6,8,12H2.
What are the key properties of 3-amino-1-(6-hydroxyhexyl)pyridin-4-one?
3-amino-1-(6-hydroxyhexyl)pyridin-4-one has a molecular weight of 210.28 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-hydroxyhexyl)pyridin-4-one is sourced from PubChem (CID 107703764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).