N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide

C15H17N3OS — CID 58651148

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc2ccsc2n1
InChIInChI=1S/C15H17N3OS/c19-14(12-2-1-11-5-8-20-15(11)17-12)16-13-9-18-6-3-10(13)4-7-18/h1-2,5,8,10,13H,3-4,6-7,9H2,(H,16,19)/t13-/m0/s1
InChIKeySHNXADNAVHWLIZ-ZDUSSCGKSA-N
MW287.39 g/mol
LogP2.12
Rot. Bonds2

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide (PubChem CID 58651148) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide
PubChem CID58651148
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc2ccsc2n1
InChIInChI=1S/C15H17N3OS/c19-14(12-2-1-11-5-8-20-15(11)17-12)16-13-9-18-6-3-10(13)4-7-18/h1-2,5,8,10,13H,3-4,6-7,9H2,(H,16,19)/t13-/m0/s1
InChIKeySHNXADNAVHWLIZ-ZDUSSCGKSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide (CID 58651148) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccsc2n1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide?
The InChIKey is SHNXADNAVHWLIZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-14(12-2-1-11-5-8-20-15(11)17-12)16-13-9-18-6-3-10(13)4-7-18/h1-2,5,8,10,13H,3-4,6-7,9H2,(H,16,19)/t13-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-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-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 58651148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).