5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide

C13H18N4O3S — CID 106342164

IUPAC5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C13H18N4O3S/c1-2-17-21(19,20)9-8-15-13(18)12-6-5-11(10-16-12)4-3-7-14/h5-6,10,17H,2,7-9,14H2,1H3,(H,15,18)
InChIKeyIJUFKLNTNCOVBO-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.94
Rot. Bonds6

About 5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide (PubChem CID 106342164) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide
PubChem CID106342164
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C13H18N4O3S/c1-2-17-21(19,20)9-8-15-13(18)12-6-5-11(10-16-12)4-3-7-14/h5-6,10,17H,2,7-9,14H2,1H3,(H,15,18)
InChIKeyIJUFKLNTNCOVBO-UHFFFAOYSA-N
XLogP-0.94
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylsulfamoyl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
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5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
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5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
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CID 55152684
5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 63241235
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 62953666
5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide
CID 62952482
5-(3-aminoprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106422382
5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62953000
5-(3-aminoprop-1-ynyl)-N-(2-methoxypropyl)pyridine-2-carboxamide
CID 102700221
5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62954357

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide (CID 106342164) is 5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide is CCNS(=O)(=O)CCNC(=O)c1ccc(C#CCN)cn1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide?
The InChIKey is IJUFKLNTNCOVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-2-17-21(19,20)9-8-15-13(18)12-6-5-11(10-16-12)4-3-7-14/h5-6,10,17H,2,7-9,14H2,1H3,(H,15,18).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of -0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 106342164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).