2-[[bis(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one

C14H24N2O5 — CID 82217188

IUPAC2-[[bis(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(CCO)CCO)n1CCCO
InChIInChI=1S/C14H24N2O5/c1-11-9-13(20)14(21)12(16(11)3-2-6-17)10-15(4-7-18)5-8-19/h9,17-19,21H,2-8,10H2,1H3
InChIKeyTYBMRQVFWNKOJZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.97
Rot. Bonds9

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

2-[[bis(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one (PubChem CID 82217188) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[[bis(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one.

Molecular Properties

Compound Name2-[[bis(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one
PubChem CID82217188
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2-[[bis(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(CCO)CCO)n1CCCO
InChIInChI=1S/C14H24N2O5/c1-11-9-13(20)14(21)12(16(11)3-2-6-17)10-15(4-7-18)5-8-19/h9,17-19,21H,2-8,10H2,1H3
InChIKeyTYBMRQVFWNKOJZ-UHFFFAOYSA-N
XLogP-0.97
TPSA106.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one?
The IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one (CID 82217188) is 2-[[bis(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one.
What is the SMILES notation for 2-[[bis(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one?
The canonical SMILES for 2-[[bis(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one is Cc1cc(=O)c(O)c(CN(CCO)CCO)n1CCCO.
What is the InChIKey of 2-[[bis(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one?
The InChIKey is TYBMRQVFWNKOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-11-9-13(20)14(21)12(16(11)3-2-6-17)10-15(4-7-18)5-8-19/h9,17-19,21H,2-8,10H2,1H3.
What are the key properties of 2-[[bis(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one?
2-[[bis(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one has a molecular weight of 300.36 g/mol, XLogP of -0.97, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one is sourced from PubChem (CID 82217188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).