N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide

C15H17N3OS — CID 22047030

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cc2ccsc2cn1
InChIInChI=1S/C15H17N3OS/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)
InChIKeyNJNIZJCRCANYGV-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.12
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide (PubChem CID 22047030) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
PubChem CID22047030
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cc2ccsc2cn1
InChIInChI=1S/C15H17N3OS/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)
InChIKeyNJNIZJCRCANYGV-UHFFFAOYSA-N
XLogP2.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide
CID 58651148
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-(11C)carboxamide
CID 10084487
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[3,4-c]pyridine-6-carboxamide;methanesulfonic acid
CID 87925336
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethynylisoquinoline-3-carboxamide
CID 22243597
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 10178168
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide
CID 22047049
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide
CID 87925247
N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide
CID 22481780
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyanoisoquinoline-3-carboxamide
CID 22243256
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 10292587
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethenylthieno[2,3-c]pyridine-5-carboxamide
CID 22389089
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide
CID 22389279

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide (CID 22047030) is N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide is O=C(NC1CN2CCC1CC2)c1cc2ccsc2cn1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide?
The InChIKey is NJNIZJCRCANYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 22047030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).