3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide

C17H19N3OS — CID 154062489

IUPAC3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide
SMILESNC(=O)c1scc(-c2ccccn2)c1C1CN2CCC1CC2
InChIInChI=1S/C17H19N3OS/c18-17(21)16-15(12-9-20-7-4-11(12)5-8-20)13(10-22-16)14-3-1-2-6-19-14/h1-3,6,10-12H,4-5,7-9H2,(H2,18,21)
InChIKeyRBNWGZXINMSIJO-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.72
Rot. Bonds3

About 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide

3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 154062489) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide
PubChem CID154062489
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide
SMILESNC(=O)c1scc(-c2ccccn2)c1C1CN2CCC1CC2
InChIInChI=1S/C17H19N3OS/c18-17(21)16-15(12-9-20-7-4-11(12)5-8-20)13(10-22-16)14-3-1-2-6-19-14/h1-3,6,10-12H,4-5,7-9H2,(H2,18,21)
InChIKeyRBNWGZXINMSIJO-UHFFFAOYSA-N
XLogP2.72
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide
CID 91538483
2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid
CID 118992178
3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124999763
2-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxamide
CID 91031305
3-phenyl-1-azabicyclo[2.2.2]octane
CID 604334
(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 95137194
3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 141118795
5-pyridin-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 159760576
2-[3-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thiophen-2-yl]-2-oxoacetic acid
CID 122668892
3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 132777127
1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
CID 110649386
1-[(3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 122141584

Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide (CID 154062489) is 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide is NC(=O)c1scc(-c2ccccn2)c1C1CN2CCC1CC2.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is RBNWGZXINMSIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c18-17(21)16-15(12-9-20-7-4-11(12)5-8-20)13(10-22-16)14-3-1-2-6-19-14/h1-3,6,10-12H,4-5,7-9H2,(H2,18,21).
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide?
3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 154062489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).