[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate

C12H14N2O6 — CID 18286834

IUPAC[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate
SMILESCOC(=O)CNC(=O)COC(=O)c1ccc(OC)nc1
InChIInChI=1S/C12H14N2O6/c1-18-10-4-3-8(5-14-10)12(17)20-7-9(15)13-6-11(16)19-2/h3-5H,6-7H2,1-2H3,(H,13,15)
InChIKeyGUOKQDSVHUJCDT-UHFFFAOYSA-N
MW282.25 g/mol
LogP-0.46
Rot. Bonds6

About [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate

[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate (PubChem CID 18286834) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate
PubChem CID18286834
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate
SMILESCOC(=O)CNC(=O)COC(=O)c1ccc(OC)nc1
InChIInChI=1S/C12H14N2O6/c1-18-10-4-3-8(5-14-10)12(17)20-7-9(15)13-6-11(16)19-2/h3-5H,6-7H2,1-2H3,(H,13,15)
InChIKeyGUOKQDSVHUJCDT-UHFFFAOYSA-N
XLogP-0.46
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 2406119
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 18169821
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 9452060
[2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 55443956
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 47013899
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 4797418
[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 18099442
[2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2589643
N-(2-hydroxy-2-methylpropyl)-6-methoxy-N-methylpyridine-3-carboxamide
CID 79291508
2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate
CID 55443983
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 6-chloropyridine-3-carboxylate
CID 2445173
benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate
CID 27020385

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
The IUPAC name of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate (CID 18286834) is [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate.
What is the SMILES notation for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
The canonical SMILES for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate is COC(=O)CNC(=O)COC(=O)c1ccc(OC)nc1.
What is the InChIKey of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
The InChIKey is GUOKQDSVHUJCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c1-18-10-4-3-8(5-14-10)12(17)20-7-9(15)13-6-11(16)19-2/h3-5H,6-7H2,1-2H3,(H,13,15).
What are the key properties of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate has a molecular weight of 282.25 g/mol, XLogP of -0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 18286834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).