3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one

C14H24N2O2 — CID 66562083

IUPAC3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one
SMILESCCCCCCCc1c(C)n(O)c(C)c(N)c1=O
InChIInChI=1S/C14H24N2O2/c1-4-5-6-7-8-9-12-10(2)16(18)11(3)13(15)14(12)17/h18H,4-9,15H2,1-3H3
InChIKeyRXBRWWGLXPHLGZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.80
Rot. Bonds6

About 3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one

3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one (PubChem CID 66562083) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one
PubChem CID66562083
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one
SMILESCCCCCCCc1c(C)n(O)c(C)c(N)c1=O
InChIInChI=1S/C14H24N2O2/c1-4-5-6-7-8-9-12-10(2)16(18)11(3)13(15)14(12)17/h18H,4-9,15H2,1-3H3
InChIKeyRXBRWWGLXPHLGZ-UHFFFAOYSA-N
XLogP2.80
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one?
The IUPAC name of 3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one (CID 66562083) is 3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one?
The canonical SMILES for 3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one is CCCCCCCc1c(C)n(O)c(C)c(N)c1=O.
What is the InChIKey of 3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one?
The InChIKey is RXBRWWGLXPHLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-5-6-7-8-9-12-10(2)16(18)11(3)13(15)14(12)17/h18H,4-9,15H2,1-3H3.
What are the key properties of 3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one?
3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one has a molecular weight of 252.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-heptyl-1-hydroxy-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 66562083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).