2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one

C13H22N2O4 — CID 82217696

IUPAC2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)C)n1CCOCCO
InChIInChI=1S/C13H22N2O4/c1-10-8-12(17)13(18)11(9-14(2)3)15(10)4-6-19-7-5-16/h8,16,18H,4-7,9H2,1-3H3
InChIKeyVFUQKYRBUQUJHF-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.07
Rot. Bonds7

About 2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one

2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one (PubChem CID 82217696) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one
PubChem CID82217696
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)C)n1CCOCCO
InChIInChI=1S/C13H22N2O4/c1-10-8-12(17)13(18)11(9-14(2)3)15(10)4-6-19-7-5-16/h8,16,18H,4-7,9H2,1-3H3
InChIKeyVFUQKYRBUQUJHF-UHFFFAOYSA-N
XLogP-0.07
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one?
The IUPAC name of 2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one (CID 82217696) is 2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one is Cc1cc(=O)c(O)c(CN(C)C)n1CCOCCO.
What is the InChIKey of 2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one?
The InChIKey is VFUQKYRBUQUJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-10-8-12(17)13(18)11(9-14(2)3)15(10)4-6-19-7-5-16/h8,16,18H,4-7,9H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one?
2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one has a molecular weight of 270.33 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one is sourced from PubChem (CID 82217696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).