ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate

C12H20N4O4S — CID 106341966

IUPACethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
SMILESCCNS(=O)(=O)CCNc1nccc(C(=O)OCC)c1N
InChIInChI=1S/C12H20N4O4S/c1-3-16-21(18,19)8-7-15-11-10(13)9(5-6-14-11)12(17)20-4-2/h5-6,16H,3-4,7-8,13H2,1-2H3,(H,14,15)
InChIKeyIAPSHEXMOUEANI-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.19
Rot. Bonds8

About ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate

ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate (PubChem CID 106341966) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
PubChem CID106341966
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Nameethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
SMILESCCNS(=O)(=O)CCNc1nccc(C(=O)OCC)c1N
InChIInChI=1S/C12H20N4O4S/c1-3-16-21(18,19)8-7-15-11-10(13)9(5-6-14-11)12(17)20-4-2/h5-6,16H,3-4,7-8,13H2,1-2H3,(H,14,15)
InChIKeyIAPSHEXMOUEANI-UHFFFAOYSA-N
XLogP0.19
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106341952
3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 106342812
ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106337804
ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate
CID 106422570
N-[2-(ethylsulfamoyl)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 106340899
ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate
CID 106304050
methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
CID 106341953
ethyl 2-(ethylsulfamoyl)benzoate
CID 18338374
methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate
CID 106900660
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
CID 118704253
ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate
CID 107531011
ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate
CID 81280660

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate (CID 106341966) is ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate is CCNS(=O)(=O)CCNc1nccc(C(=O)OCC)c1N.
What is the InChIKey of ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate?
The InChIKey is IAPSHEXMOUEANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-3-16-21(18,19)8-7-15-11-10(13)9(5-6-14-11)12(17)20-4-2/h5-6,16H,3-4,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate?
ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate has a molecular weight of 316.38 g/mol, XLogP of 0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate is sourced from PubChem (CID 106341966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).