6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide

C12H15N5O3S — CID 122144647

IUPAC6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NC(C)c2ccn[nH]2)cn1
InChIInChI=1S/C12H15N5O3S/c1-8(10-5-6-15-17-10)16-12(18)9-3-4-11(14-7-9)21(19,20)13-2/h3-8,13H,1-2H3,(H,15,17)(H,16,18)
InChIKeyYZNVEQXWWHMYAN-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.20
Rot. Bonds5

About 6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide

6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 122144647) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID122144647
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NC(C)c2ccn[nH]2)cn1
InChIInChI=1S/C12H15N5O3S/c1-8(10-5-6-15-17-10)16-12(18)9-3-4-11(14-7-9)21(19,20)13-2/h3-8,13H,1-2H3,(H,15,17)(H,16,18)
InChIKeyYZNVEQXWWHMYAN-UHFFFAOYSA-N
XLogP0.20
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide (CID 122144647) is 6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide is CNS(=O)(=O)c1ccc(C(=O)NC(C)c2ccn[nH]2)cn1.
What is the InChIKey of 6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is YZNVEQXWWHMYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-8(10-5-6-15-17-10)16-12(18)9-3-4-11(14-7-9)21(19,20)13-2/h3-8,13H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide?
6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylsulfamoyl)-N-[1-(1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 122144647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).