methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate

C12H14N2O6 — CID 81443513

IUPACmethyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1ccncc1O
InChIInChI=1S/C12H14N2O6/c1-19-10(16)6-14(7-11(17)20-2)12(18)8-3-4-13-5-9(8)15/h3-5,15H,6-7H2,1-2H3
InChIKeyCFHIMYBTSUGMDP-UHFFFAOYSA-N
MW282.25 g/mol
LogP-0.42
Rot. Bonds5

About methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 81443513) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID81443513
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Namemethyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1ccncc1O
InChIInChI=1S/C12H14N2O6/c1-19-10(16)6-14(7-11(17)20-2)12(18)8-3-4-13-5-9(8)15/h3-5,15H,6-7H2,1-2H3
InChIKeyCFHIMYBTSUGMDP-UHFFFAOYSA-N
XLogP-0.42
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-bis(cyclopropylmethyl)-3-hydroxypyridine-4-carboxamide
CID 81443103
3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 81443489
tris(3-hydroxy-N-(2-methoxyethyl)-N-methylpyridine-4-carboxamide);iron(3+)
CID 161269738
3-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 80706848
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 81443183
methyl 2-[(3-methoxypyridine-4-carbonyl)-methylamino]acetate
CID 105064217
N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81445579
3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 81443332
N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446513
N-ethyl-3-hydroxy-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 90653439
methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate
CID 63997835
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81443007

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 81443513) is methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)c1ccncc1O.
What is the InChIKey of methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is CFHIMYBTSUGMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c1-19-10(16)6-14(7-11(17)20-2)12(18)8-3-4-13-5-9(8)15/h3-5,15H,6-7H2,1-2H3.
What are the key properties of methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 282.25 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 81443513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).