3-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide

C17H19N3OS — CID 91538483

IUPAC3-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2ccccn2)cc1C1CN2CCC1CC2
InChIInChI=1S/C17H19N3OS/c18-17(21)16-12(13-10-20-7-4-11(13)5-8-20)9-15(22-16)14-3-1-2-6-19-14/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,18,21)
InChIKeyKQYQDTNKKVOMSL-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.72
Rot. Bonds3

About 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide

3-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 91538483) 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)-5-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide
PubChem CID91538483
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2ccccn2)cc1C1CN2CCC1CC2
InChIInChI=1S/C17H19N3OS/c18-17(21)16-12(13-10-20-7-4-11(13)5-8-20)9-15(22-16)14-3-1-2-6-19-14/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,18,21)
InChIKeyKQYQDTNKKVOMSL-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)-4-pyridin-2-ylthiophene-2-carboxamide
CID 154062489
5-pyridin-2-ylthiophene-2-carboxamide
CID 2778719
3-(chloromethyl)-5-pyridin-2-ylthiophene-2-carboxylic acid
CID 58387719
(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 95137194
3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 6737250
3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124999763
6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline
CID 127038223
4-(1-azabicyclo[2.2.2]octan-3-yl)-1-thiophen-3-ylindazole-3-carboxamide
CID 90031046
2-[3-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thiophen-2-yl]-2-oxoacetic acid
CID 122668892
4-(1-azabicyclo[2.2.2]octan-3-yl)-6-(3-fluorophenyl)-1,2-benzothiazole-3-carboxamide
CID 141084994
1-[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117431418
[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 59382198

Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide (CID 91538483) is 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide is NC(=O)c1sc(-c2ccccn2)cc1C1CN2CCC1CC2.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is KQYQDTNKKVOMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c18-17(21)16-12(13-10-20-7-4-11(13)5-8-20)9-15(22-16)14-3-1-2-6-19-14/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,18,21).
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide?
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-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)-5-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 91538483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).