4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C14H22N2O4 — CID 107386395

IUPAC4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNCC2COC(C)(C)O2)c1O
InChIInChI=1S/C14H22N2O4/c1-9-13(18)12(10(7-17)4-16-9)6-15-5-11-8-19-14(2,3)20-11/h4,11,15,17-18H,5-8H2,1-3H3
InChIKeyDKBZOWBQZITOLA-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.83
Rot. Bonds5

About 4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 107386395) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID107386395
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNCC2COC(C)(C)O2)c1O
InChIInChI=1S/C14H22N2O4/c1-9-13(18)12(10(7-17)4-16-9)6-15-5-11-8-19-14(2,3)20-11/h4,11,15,17-18H,5-8H2,1-3H3
InChIKeyDKBZOWBQZITOLA-UHFFFAOYSA-N
XLogP0.83
TPSA83.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 107386395) is 4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(CNCC2COC(C)(C)O2)c1O.
What is the InChIKey of 4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is DKBZOWBQZITOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9-13(18)12(10(7-17)4-16-9)6-15-5-11-8-19-14(2,3)20-11/h4,11,15,17-18H,5-8H2,1-3H3.
What are the key properties of 4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 282.34 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 107386395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).