5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol

C14H24N2O3 — CID 116686427

IUPAC5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol
SMILESCOCC(NCc1c(CO)cnc(C)c1O)C(C)C
InChIInChI=1S/C14H24N2O3/c1-9(2)13(8-19-4)16-6-12-11(7-17)5-15-10(3)14(12)18/h5,9,13,16-18H,6-8H2,1-4H3
InChIKeyCCOZEDDRFOMRRV-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.35
Rot. Bonds7

About 5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol

5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol (PubChem CID 116686427) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol
PubChem CID116686427
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol
SMILESCOCC(NCc1c(CO)cnc(C)c1O)C(C)C
InChIInChI=1S/C14H24N2O3/c1-9(2)13(8-19-4)16-6-12-11(7-17)5-15-10(3)14(12)18/h5,9,13,16-18H,6-8H2,1-4H3
InChIKeyCCOZEDDRFOMRRV-UHFFFAOYSA-N
XLogP1.35
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol (CID 116686427) is 5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol is COCC(NCc1c(CO)cnc(C)c1O)C(C)C.
What is the InChIKey of 5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol?
The InChIKey is CCOZEDDRFOMRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9(2)13(8-19-4)16-6-12-11(7-17)5-15-10(3)14(12)18/h5,9,13,16-18H,6-8H2,1-4H3.
What are the key properties of 5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol?
5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol has a molecular weight of 268.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol is sourced from PubChem (CID 116686427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).