methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate

C11H14N2O4S — CID 114090864

IUPACmethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate
SMILESCCOC(=O)CSc1cc(C(=O)OC)c(N)cn1
InChIInChI=1S/C11H14N2O4S/c1-3-17-10(14)6-18-9-4-7(11(15)16-2)8(12)5-13-9/h4-5H,3,6,12H2,1-2H3
InChIKeyZQQXXNRUOQUWEH-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.11
Rot. Bonds5

About methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate

methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate (PubChem CID 114090864) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate
PubChem CID114090864
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Namemethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate
SMILESCCOC(=O)CSc1cc(C(=O)OC)c(N)cn1
InChIInChI=1S/C11H14N2O4S/c1-3-17-10(14)6-18-9-4-7(11(15)16-2)8(12)5-13-9/h4-5H,3,6,12H2,1-2H3
InChIKeyZQQXXNRUOQUWEH-UHFFFAOYSA-N
XLogP1.11
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-2-[2-(diethylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 114234240
ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate
CID 71304250
ethyl 5-amino-2-pyridin-2-ylsulfanylpyridine-4-carboxylate
CID 114090847
methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate
CID 114090125
methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate
CID 114090370
ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate
CID 80922675
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
ethyl 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanylacetate
CID 80922929
ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate
CID 80923704
methyl 2-amino-5-(4-ethoxy-4-oxobut-1-enyl)pyridine-3-carboxylate
CID 170796737
methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate
CID 114090196
methyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate
CID 114090515

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate (CID 114090864) is methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate is CCOC(=O)CSc1cc(C(=O)OC)c(N)cn1.
What is the InChIKey of methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate?
The InChIKey is ZQQXXNRUOQUWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-3-17-10(14)6-18-9-4-7(11(15)16-2)8(12)5-13-9/h4-5H,3,6,12H2,1-2H3.
What are the key properties of methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate?
methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate has a molecular weight of 270.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate is sourced from PubChem (CID 114090864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).