5-Pyridin-2-yl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide

C17H19N3OS — CID 10267729

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide
SMILESC1CN2CCC1C(C2)NC(=O)C3=CC=C(S3)C4=CC=CC=N4
InChIInChI=1S/C17H19N3OS/c21-17(19-14-11-20-9-6-12(14)7-10-20)16-5-4-15(22-16)13-3-1-2-8-18-13/h1-5,8,12,14H,6-7,9-11H2,(H,19,21)
InChIKeyUUSSDOJBSVGPEU-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.50
Rot. Bonds3

About 5-Pyridin-2-yl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide

5-Pyridin-2-yl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide (PubChem CID 10267729) has the molecular formula C17H19N3OS and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-Pyridin-2-yl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide
PubChem CID10267729
Molecular FormulaC17H19N3OS
Molecular Weight313.40 g/mol
Exact Mass313.12
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide
SMILESC1CN2CCC1C(C2)NC(=O)C3=CC=C(S3)C4=CC=CC=N4
InChIInChI=1S/C17H19N3OS/c21-17(19-14-11-20-9-6-12(14)7-10-20)16-5-4-15(22-16)13-3-1-2-8-18-13/h1-5,8,12,14H,6-7,9-11H2,(H,19,21)
InChIKeyUUSSDOJBSVGPEU-UHFFFAOYSA-N
XLogP2.50
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity411

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 5236771
5-pyridin-2-yl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 25182691
Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
5-pyridin-2-yl-N-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 44402005
5-(2-Pyridyl)thiophene-2-carboxamide
CID 2778719
5-iodo-N-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 44402006
5-bromo-N-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-3-carboxamide
CID 44402150
5-iodo-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 71459156
5-phenyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 71459157
N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide
CID 71462683
5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]thieno[3,2-c]pyridine-6-carboxamide
CID 9841797

Frequently Asked Questions

What is the IUPAC name of 5-Pyridin-2-yl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide?
The IUPAC name of 5-Pyridin-2-yl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide (CID 10267729) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-Pyridin-2-yl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide?
The canonical SMILES for 5-Pyridin-2-yl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide is C1CN2CCC1C(C2)NC(=O)C3=CC=C(S3)C4=CC=CC=N4.
What is the InChIKey of 5-Pyridin-2-yl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide?
The InChIKey is UUSSDOJBSVGPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-17(19-14-11-20-9-6-12(14)7-10-20)16-5-4-15(22-16)13-3-1-2-8-18-13/h1-5,8,12,14H,6-7,9-11H2,(H,19,21).
What are the key properties of 5-Pyridin-2-yl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide?
5-Pyridin-2-yl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide has a molecular weight of 313.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Pyridin-2-yl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide is sourced from PubChem (CID 10267729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).