N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide

C15H14N4OS — CID 53166357

IUPACN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide
SMILESO=C(Nc1cccn2c(C3CCC3)nnc12)c1ccsc1
InChIInChI=1S/C15H14N4OS/c20-15(11-6-8-21-9-11)16-12-5-2-7-19-13(10-3-1-4-10)17-18-14(12)19/h2,5-10H,1,3-4H2,(H,16,20)
InChIKeySOIBEZNYHBWLOO-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.31
Rot. Bonds3

About N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide

N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide (PubChem CID 53166357) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide
PubChem CID53166357
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide
SMILESO=C(Nc1cccn2c(C3CCC3)nnc12)c1ccsc1
InChIInChI=1S/C15H14N4OS/c20-15(11-6-8-21-9-11)16-12-5-2-7-19-13(10-3-1-4-10)17-18-14(12)19/h2,5-10H,1,3-4H2,(H,16,20)
InChIKeySOIBEZNYHBWLOO-UHFFFAOYSA-N
XLogP3.31
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)pyridine-2-carboxamide
CID 53166367
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-indazole-3-carboxamide
CID 53166362
N-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-methoxybenzamide
CID 86763634
N-(1-methyl-2-oxo-3-pyridinyl)thiophene-3-carboxamide
CID 86768883
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide
CID 75506471
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074688
8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine
CID 15754782
N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 119387878
N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 55460514
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 39652535
N-(2-ethoxy-3-pyridinyl)thiophene-3-carboxamide
CID 34879256
N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide
CID 71874465

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide?
The IUPAC name of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide (CID 53166357) is N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide is O=C(Nc1cccn2c(C3CCC3)nnc12)c1ccsc1.
What is the InChIKey of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide?
The InChIKey is SOIBEZNYHBWLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c20-15(11-6-8-21-9-11)16-12-5-2-7-19-13(10-3-1-4-10)17-18-14(12)19/h2,5-10H,1,3-4H2,(H,16,20).
What are the key properties of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide?
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide is sourced from PubChem (CID 53166357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).