[acetyloxymethyl(pyridin-2-yl)amino]methyl acetate

C11H14N2O4 — CID 143195366

IUPAC[acetyloxymethyl(pyridin-2-yl)amino]methyl acetate
SMILESCC(=O)OCN(COC(C)=O)c1ccccn1
InChIInChI=1S/C11H14N2O4/c1-9(14)16-7-13(8-17-10(2)15)11-5-3-4-6-12-11/h3-6H,7-8H2,1-2H3
InChIKeyVMLFDVRTHOINMA-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.93
Rot. Bonds5

About [acetyloxymethyl(pyridin-2-yl)amino]methyl acetate

[acetyloxymethyl(pyridin-2-yl)amino]methyl acetate (PubChem CID 143195366) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [acetyloxymethyl(pyridin-2-yl)amino]methyl acetate.

Molecular Properties

Compound Name[acetyloxymethyl(pyridin-2-yl)amino]methyl acetate
PubChem CID143195366
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[acetyloxymethyl(pyridin-2-yl)amino]methyl acetate
SMILESCC(=O)OCN(COC(C)=O)c1ccccn1
InChIInChI=1S/C11H14N2O4/c1-9(14)16-7-13(8-17-10(2)15)11-5-3-4-6-12-11/h3-6H,7-8H2,1-2H3
InChIKeyVMLFDVRTHOINMA-UHFFFAOYSA-N
XLogP0.93
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053
ethyl N-carbamothioyl-N-pyridin-2-ylcarbamate
CID 21464404
ethyl N-phenyl-N-pyridin-2-ylcarbamate
CID 2783435
2-[4-[methyl(pyridin-2-yl)amino]phenyl]acetic acid
CID 54597167
12-pyridin-2-yloxydodecyl acetate
CID 70684250
(3-hydroxy-2-pyridin-2-ylpropyl) acetate
CID 22101011
2-[methyl(pyridin-2-yl)amino]acetic acid;hydrochloride
CID 71627035
methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate
CID 115253091
2-(2-aminoethoxy)-N-methyl-N-pyridin-2-ylacetamide
CID 79463980
ethyl acetate;2-pyridin-2-ylacetic acid
CID 70044808
2-amino-N,2-dimethyl-N-pyridin-2-ylpropanamide
CID 61265385
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517

Frequently Asked Questions

What is the IUPAC name of [acetyloxymethyl(pyridin-2-yl)amino]methyl acetate?
The IUPAC name of [acetyloxymethyl(pyridin-2-yl)amino]methyl acetate (CID 143195366) is [acetyloxymethyl(pyridin-2-yl)amino]methyl acetate.
What is the SMILES notation for [acetyloxymethyl(pyridin-2-yl)amino]methyl acetate?
The canonical SMILES for [acetyloxymethyl(pyridin-2-yl)amino]methyl acetate is CC(=O)OCN(COC(C)=O)c1ccccn1.
What is the InChIKey of [acetyloxymethyl(pyridin-2-yl)amino]methyl acetate?
The InChIKey is VMLFDVRTHOINMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-9(14)16-7-13(8-17-10(2)15)11-5-3-4-6-12-11/h3-6H,7-8H2,1-2H3.
What are the key properties of [acetyloxymethyl(pyridin-2-yl)amino]methyl acetate?
[acetyloxymethyl(pyridin-2-yl)amino]methyl acetate has a molecular weight of 238.24 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxymethyl(pyridin-2-yl)amino]methyl acetate is sourced from PubChem (CID 143195366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).