methyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate

C11H13N5O4S — CID 138047479

IUPACmethyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate
SMILESCCn1ncc(S(=O)(=O)Nc2cc(C(=O)OC)ccn2)n1
InChIInChI=1S/C11H13N5O4S/c1-3-16-13-7-10(14-16)21(18,19)15-9-6-8(4-5-12-9)11(17)20-2/h4-7H,3H2,1-2H3,(H,12,15)
InChIKeyAXEFPGPUEKVMNL-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.28
Rot. Bonds5

About methyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate

methyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate (PubChem CID 138047479) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is methyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate
PubChem CID138047479
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC Namemethyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate
SMILESCCn1ncc(S(=O)(=O)Nc2cc(C(=O)OC)ccn2)n1
InChIInChI=1S/C11H13N5O4S/c1-3-16-13-7-10(14-16)21(18,19)15-9-6-8(4-5-12-9)11(17)20-2/h4-7H,3H2,1-2H3,(H,12,15)
InChIKeyAXEFPGPUEKVMNL-UHFFFAOYSA-N
XLogP0.28
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
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CID 83834716
methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate
CID 155292007
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methyl 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carboxylate
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ethane;methyl 2-ethylpyridine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate (CID 138047479) is methyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate is CCn1ncc(S(=O)(=O)Nc2cc(C(=O)OC)ccn2)n1.
What is the InChIKey of methyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate?
The InChIKey is AXEFPGPUEKVMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-3-16-13-7-10(14-16)21(18,19)15-9-6-8(4-5-12-9)11(17)20-2/h4-7H,3H2,1-2H3,(H,12,15).
What are the key properties of methyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate?
methyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate has a molecular weight of 311.32 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate is sourced from PubChem (CID 138047479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).