methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate

C11H18N4O4S — CID 106341953

IUPACmethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
SMILESCCNS(=O)(=O)CCNc1cc(C(=O)OC)c(N)cn1
InChIInChI=1S/C11H18N4O4S/c1-3-15-20(17,18)5-4-13-10-6-8(11(16)19-2)9(12)7-14-10/h6-7,15H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyHKKGKHOIUVZIMP-UHFFFAOYSA-N
MW302.36 g/mol
LogP-0.20
Rot. Bonds7

About methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate

methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate (PubChem CID 106341953) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
PubChem CID106341953
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Namemethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
SMILESCCNS(=O)(=O)CCNc1cc(C(=O)OC)c(N)cn1
InChIInChI=1S/C11H18N4O4S/c1-3-15-20(17,18)5-4-13-10-6-8(11(16)19-2)9(12)7-14-10/h6-7,15H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyHKKGKHOIUVZIMP-UHFFFAOYSA-N
XLogP-0.20
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate
CID 114131931
methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate
CID 106039508
ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106341952
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334265
methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate
CID 106014285
methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate
CID 114090203
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 106338159
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918035
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334326
methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate
CID 114090196
methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate
CID 106407309
5-amino-2-[3-(methanesulfonamido)propylamino]pyridine-4-carboxamide
CID 106341882

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate (CID 106341953) is methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate is CCNS(=O)(=O)CCNc1cc(C(=O)OC)c(N)cn1.
What is the InChIKey of methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate?
The InChIKey is HKKGKHOIUVZIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-3-15-20(17,18)5-4-13-10-6-8(11(16)19-2)9(12)7-14-10/h6-7,15H,3-5,12H2,1-2H3,(H,13,14).
What are the key properties of methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate?
methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate has a molecular weight of 302.36 g/mol, XLogP of -0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate is sourced from PubChem (CID 106341953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).