3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one

C15H26N2O3 — CID 82217536

IUPAC3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one
SMILESCCCCCn1c(C)cc(=O)c(O)c1CN(C)CCO
InChIInChI=1S/C15H26N2O3/c1-4-5-6-7-17-12(2)10-14(19)15(20)13(17)11-16(3)8-9-18/h10,18,20H,4-9,11H2,1-3H3
InChIKeyVRFKCTVPGSSVKK-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds8

About 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one

3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one (PubChem CID 82217536) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one
PubChem CID82217536
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one
SMILESCCCCCn1c(C)cc(=O)c(O)c1CN(C)CCO
InChIInChI=1S/C15H26N2O3/c1-4-5-6-7-17-12(2)10-14(19)15(20)13(17)11-16(3)8-9-18/h10,18,20H,4-9,11H2,1-3H3
InChIKeyVRFKCTVPGSSVKK-UHFFFAOYSA-N
XLogP1.48
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
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 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one?
The IUPAC name of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one (CID 82217536) is 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one?
The canonical SMILES for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one is CCCCCn1c(C)cc(=O)c(O)c1CN(C)CCO.
What is the InChIKey of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one?
The InChIKey is VRFKCTVPGSSVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-5-6-7-17-12(2)10-14(19)15(20)13(17)11-16(3)8-9-18/h10,18,20H,4-9,11H2,1-3H3.
What are the key properties of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one?
3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one has a molecular weight of 282.38 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-pentylpyridin-4-one is sourced from PubChem (CID 82217536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).