N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide

C13H20N2O4 — CID 122420122

IUPACN-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1nc(C)ccc1O)C[C@H](C)O
InChIInChI=1S/C13H20N2O4/c1-9-4-5-12(17)11(14-9)7-15(6-10(2)16)13(18)8-19-3/h4-5,10,16-17H,6-8H2,1-3H3/t10-/m0/s1
InChIKeyIXSQCBOUWGBGLW-JTQLQIEISA-N
MW268.31 g/mol
LogP0.45
Rot. Bonds6

About N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide

N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide (PubChem CID 122420122) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide
PubChem CID122420122
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1nc(C)ccc1O)C[C@H](C)O
InChIInChI=1S/C13H20N2O4/c1-9-4-5-12(17)11(14-9)7-15(6-10(2)16)13(18)8-19-3/h4-5,10,16-17H,6-8H2,1-3H3/t10-/m0/s1
InChIKeyIXSQCBOUWGBGLW-JTQLQIEISA-N
XLogP0.45
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide?
The IUPAC name of N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide (CID 122420122) is N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide?
The canonical SMILES for N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide is COCC(=O)N(Cc1nc(C)ccc1O)C[C@H](C)O.
What is the InChIKey of N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide?
The InChIKey is IXSQCBOUWGBGLW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9-4-5-12(17)11(14-9)7-15(6-10(2)16)13(18)8-19-3/h4-5,10,16-17H,6-8H2,1-3H3/t10-/m0/s1.
What are the key properties of N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide?
N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide has a molecular weight of 268.31 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide is sourced from PubChem (CID 122420122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).