5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide

C13H17N3OS — CID 63961406

IUPAC5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
SMILESCSCCCNC(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C13H17N3OS/c1-18-9-3-8-15-13(17)12-6-5-11(10-16-12)4-2-7-14/h5-6,10H,3,7-9,14H2,1H3,(H,15,17)
InChIKeyHFXYATZVCSBTQY-UHFFFAOYSA-N
MW263.37 g/mol
LogP0.87
Rot. Bonds5

About 5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide (PubChem CID 63961406) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
PubChem CID63961406
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
SMILESCSCCCNC(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C13H17N3OS/c1-18-9-3-8-15-13(17)12-6-5-11(10-16-12)4-2-7-14/h5-6,10H,3,7-9,14H2,1H3,(H,15,17)
InChIKeyHFXYATZVCSBTQY-UHFFFAOYSA-N
XLogP0.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 62953500
5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342164
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 62953666
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63961199
5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 63241235
6-(3-methylsulfanylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 63959923
5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 104641430
5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62953000
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-(dimethylamino)propyl]pyridine-2-carboxamide
CID 55152684
5-(3-aminoprop-1-ynyl)-N-(2-methoxypropyl)pyridine-2-carboxamide
CID 102700221

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide (CID 63961406) is 5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide is CSCCCNC(=O)c1ccc(C#CCN)cn1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide?
The InChIKey is HFXYATZVCSBTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-18-9-3-8-15-13(17)12-6-5-11(10-16-12)4-2-7-14/h5-6,10H,3,7-9,14H2,1H3,(H,15,17).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 63961406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).