ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate

C12H20N4O4S — CID 106341952

IUPACethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate
SMILESCCNS(=O)(=O)CCNc1ncc(N)cc1C(=O)OCC
InChIInChI=1S/C12H20N4O4S/c1-3-16-21(18,19)6-5-14-11-10(12(17)20-4-2)7-9(13)8-15-11/h7-8,16H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyZAVUOEBFPHDOPP-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.19
Rot. Bonds8

About ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate

ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate (PubChem CID 106341952) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate
PubChem CID106341952
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Nameethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate
SMILESCCNS(=O)(=O)CCNc1ncc(N)cc1C(=O)OCC
InChIInChI=1S/C12H20N4O4S/c1-3-16-21(18,19)6-5-14-11-10(12(17)20-4-2)7-9(13)8-15-11/h7-8,16H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyZAVUOEBFPHDOPP-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 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
CID 106341966
ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 106407447
ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate
CID 106331106
methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
CID 106341953
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334310
2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106333992
ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106337804
ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 106098243
5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid
CID 106339921
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
5-amino-2-[3-(methanesulfonamido)propylamino]pyridine-3-carboxamide
CID 106333765
methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 114047133

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate (CID 106341952) is ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate is CCNS(=O)(=O)CCNc1ncc(N)cc1C(=O)OCC.
What is the InChIKey of ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate?
The InChIKey is ZAVUOEBFPHDOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-3-16-21(18,19)6-5-14-11-10(12(17)20-4-2)7-9(13)8-15-11/h7-8,16H,3-6,13H2,1-2H3,(H,14,15).
What are the key properties of ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate?
ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-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 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 106341952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).