5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide

C14H14N4OS — CID 63241235

IUPAC5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NCCc2nccs2)nc1
InChIInChI=1S/C14H14N4OS/c15-6-1-2-11-3-4-12(18-10-11)14(19)17-7-5-13-16-8-9-20-13/h3-4,8-10H,5-7,15H2,(H,17,19)
InChIKeyUYOLAHPZYSZOLT-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.82
Rot. Bonds4

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

5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 63241235) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID63241235
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NCCc2nccs2)nc1
InChIInChI=1S/C14H14N4OS/c15-6-1-2-11-3-4-12(18-10-11)14(19)17-7-5-13-16-8-9-20-13/h3-4,8-10H,5-7,15H2,(H,17,19)
InChIKeyUYOLAHPZYSZOLT-UHFFFAOYSA-N
XLogP0.82
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 62953500
5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62953000
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
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-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63961406
5-(3-aminoprop-1-ynyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62958356
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 62953666
4-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62186873
5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342164
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 62958879
5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960476

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide (CID 63241235) is 5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide is NCC#Cc1ccc(C(=O)NCCc2nccs2)nc1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is UYOLAHPZYSZOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c15-6-1-2-11-3-4-12(18-10-11)14(19)17-7-5-13-16-8-9-20-13/h3-4,8-10H,5-7,15H2,(H,17,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 63241235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).