1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one

C11H18N2O3 — CID 115475712

IUPAC1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one
SMILESCOCCNCC(O)Cn1ccc(=O)cc1
InChIInChI=1S/C11H18N2O3/c1-16-7-4-12-8-11(15)9-13-5-2-10(14)3-6-13/h2-3,5-6,11-12,15H,4,7-9H2,1H3
InChIKeyIIKOOEKBXOADSG-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.55
Rot. Bonds7

About 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one

1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one (PubChem CID 115475712) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one
PubChem CID115475712
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one
SMILESCOCCNCC(O)Cn1ccc(=O)cc1
InChIInChI=1S/C11H18N2O3/c1-16-7-4-12-8-11(15)9-13-5-2-10(14)3-6-13/h2-3,5-6,11-12,15H,4,7-9H2,1H3
InChIKeyIIKOOEKBXOADSG-UHFFFAOYSA-N
XLogP-0.55
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one?
The IUPAC name of 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one (CID 115475712) is 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one.
What is the SMILES notation for 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one?
The canonical SMILES for 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one is COCCNCC(O)Cn1ccc(=O)cc1.
What is the InChIKey of 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one?
The InChIKey is IIKOOEKBXOADSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-16-7-4-12-8-11(15)9-13-5-2-10(14)3-6-13/h2-3,5-6,11-12,15H,4,7-9H2,1H3.
What are the key properties of 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one?
1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one has a molecular weight of 226.28 g/mol, XLogP of -0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one is sourced from PubChem (CID 115475712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).