[4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate

C12H16N2O4 — CID 139835222

IUPAC[4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate
SMILESCC(=O)NCc1c(CO)cnc(C)c1OC(C)=O
InChIInChI=1S/C12H16N2O4/c1-7-12(18-9(3)17)11(5-14-8(2)16)10(6-15)4-13-7/h4,15H,5-6H2,1-3H3,(H,14,16)
InChIKeyLYMODVPXJHOFCM-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.44
Rot. Bonds4

About [4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate

[4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate (PubChem CID 139835222) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is [4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate.

Molecular Properties

Compound Name[4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate
PubChem CID139835222
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name[4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate
SMILESCC(=O)NCc1c(CO)cnc(C)c1OC(C)=O
InChIInChI=1S/C12H16N2O4/c1-7-12(18-9(3)17)11(5-14-8(2)16)10(6-15)4-13-7/h4,15H,5-6H2,1-3H3,(H,14,16)
InChIKeyLYMODVPXJHOFCM-UHFFFAOYSA-N
XLogP0.44
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate
CID 11769724
[3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate
CID 122642714
[5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate
CID 144768866
N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one
CID 158855996
[3-acetyloxy-2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-4-pyridinyl]methyl acetate
CID 122642382
[4-(acetamidomethyl)phenyl] acetate
CID 15576450
[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
CID 820399
N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide
CID 57165481
methyl 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-3-methylbutanoate
CID 116686269
5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol
CID 116686483
methyl 2-acetyloxy-4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]benzoate
CID 18784874
ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol
CID 144604155

Frequently Asked Questions

What is the IUPAC name of [4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate?
The IUPAC name of [4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate (CID 139835222) is [4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate.
What is the SMILES notation for [4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate?
The canonical SMILES for [4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate is CC(=O)NCc1c(CO)cnc(C)c1OC(C)=O.
What is the InChIKey of [4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate?
The InChIKey is LYMODVPXJHOFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7-12(18-9(3)17)11(5-14-8(2)16)10(6-15)4-13-7/h4,15H,5-6H2,1-3H3,(H,14,16).
What are the key properties of [4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate?
[4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate has a molecular weight of 252.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate is sourced from PubChem (CID 139835222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).