3-amino-1-(9-hydroxynonan-4-yl)pyridin-2-one

C14H24N2O2 — CID 137449786

IUPAC3-amino-1-(9-hydroxynonan-4-yl)pyridin-2-one
SMILESCCCC(CCCCCO)n1cccc(N)c1=O
InChIInChI=1S/C14H24N2O2/c1-2-7-12(8-4-3-5-11-17)16-10-6-9-13(15)14(16)18/h6,9-10,12,17H,2-5,7-8,11,15H2,1H3
InChIKeyTVQNKEBDCYTBIC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.32
Rot. Bonds8

About 3-amino-1-(9-hydroxynonan-4-yl)pyridin-2-one

3-amino-1-(9-hydroxynonan-4-yl)pyridin-2-one (PubChem CID 137449786) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-amino-1-(9-hydroxynonan-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(9-hydroxynonan-4-yl)pyridin-2-one
PubChem CID137449786
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-amino-1-(9-hydroxynonan-4-yl)pyridin-2-one
SMILESCCCC(CCCCCO)n1cccc(N)c1=O
InChIInChI=1S/C14H24N2O2/c1-2-7-12(8-4-3-5-11-17)16-10-6-9-13(15)14(16)18/h6,9-10,12,17H,2-5,7-8,11,15H2,1H3
InChIKeyTVQNKEBDCYTBIC-UHFFFAOYSA-N
XLogP2.32
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.32
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-(9-hydroxynonan-4-yl)pyridin-2-one?
The IUPAC name of 3-amino-1-(9-hydroxynonan-4-yl)pyridin-2-one (CID 137449786) is 3-amino-1-(9-hydroxynonan-4-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(9-hydroxynonan-4-yl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(9-hydroxynonan-4-yl)pyridin-2-one is CCCC(CCCCCO)n1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-(9-hydroxynonan-4-yl)pyridin-2-one?
The InChIKey is TVQNKEBDCYTBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-7-12(8-4-3-5-11-17)16-10-6-9-13(15)14(16)18/h6,9-10,12,17H,2-5,7-8,11,15H2,1H3.
What are the key properties of 3-amino-1-(9-hydroxynonan-4-yl)pyridin-2-one?
3-amino-1-(9-hydroxynonan-4-yl)pyridin-2-one has a molecular weight of 252.36 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(9-hydroxynonan-4-yl)pyridin-2-one is sourced from PubChem (CID 137449786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).