ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate

C12H16N2O4 — CID 55037918

IUPACethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)CC(=O)OC
InChIInChI=1S/C12H16N2O4/c1-4-18-12(16)9-6-5-7-13-11(9)14(2)8-10(15)17-3/h5-7H,4,8H2,1-3H3
InChIKeyVYEXAVIIFYVAGK-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.87
Rot. Bonds5

About ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate

ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate (PubChem CID 55037918) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
PubChem CID55037918
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Nameethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)CC(=O)OC
InChIInChI=1S/C12H16N2O4/c1-4-18-12(16)9-6-5-7-13-11(9)14(2)8-10(15)17-3/h5-7H,4,8H2,1-3H3
InChIKeyVYEXAVIIFYVAGK-UHFFFAOYSA-N
XLogP0.87
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 133469869
ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate
CID 133469103
ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate
CID 54999147
ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate
CID 60868679
ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate
CID 62006591
2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 62819083
methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate
CID 62007022
ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate
CID 106642853
ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate
CID 116653490
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate
CID 114599518
ethyl 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]pyridine-3-carboxylate
CID 63223834

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate (CID 55037918) is ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1N(C)CC(=O)OC.
What is the InChIKey of ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate?
The InChIKey is VYEXAVIIFYVAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-4-18-12(16)9-6-5-7-13-11(9)14(2)8-10(15)17-3/h5-7H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate?
ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 55037918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).