2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one

C15H26N2O3 — CID 82218694

IUPAC2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
SMILESCCN(CC)Cc1cc(=O)c(O)cn1CCCCCO
InChIInChI=1S/C15H26N2O3/c1-3-16(4-2)11-13-10-14(19)15(20)12-17(13)8-6-5-7-9-18/h10,12,18,20H,3-9,11H2,1-2H3
InChIKeyVQVNNBFYVMMSGP-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.56
Rot. Bonds9

About 2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one

2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one (PubChem CID 82218694) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one.

Molecular Properties

Compound Name2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
PubChem CID82218694
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
SMILESCCN(CC)Cc1cc(=O)c(O)cn1CCCCCO
InChIInChI=1S/C15H26N2O3/c1-3-16(4-2)11-13-10-14(19)15(20)12-17(13)8-6-5-7-9-18/h10,12,18,20H,3-9,11H2,1-2H3
InChIKeyVQVNNBFYVMMSGP-UHFFFAOYSA-N
XLogP1.56
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.56
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 2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one?
The IUPAC name of 2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one (CID 82218694) is 2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one.
What is the SMILES notation for 2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one?
The canonical SMILES for 2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one is CCN(CC)Cc1cc(=O)c(O)cn1CCCCCO.
What is the InChIKey of 2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one?
The InChIKey is VQVNNBFYVMMSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-16(4-2)11-13-10-14(19)15(20)12-17(13)8-6-5-7-9-18/h10,12,18,20H,3-9,11H2,1-2H3.
What are the key properties of 2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one?
2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one has a molecular weight of 282.38 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one is sourced from PubChem (CID 82218694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).