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

C19H22N4O2S — CID 10292587

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2sc(N3CCCC3=O)cc2cn1
InChIInChI=1S/C19H22N4O2S/c24-17-2-1-5-23(17)18-8-13-10-20-14(9-16(13)26-18)19(25)21-15-11-22-6-3-12(15)4-7-22/h8-10,12,15H,1-7,11H2,(H,21,25)/t15-/m0/s1
InChIKeyIPBJFOFIUHUOCN-HNNXBMFYSA-N
MW370.48 g/mol
LogP2.25
Rot. Bonds3

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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide (PubChem CID 10292587) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
PubChem CID10292587
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2sc(N3CCCC3=O)cc2cn1
InChIInChI=1S/C19H22N4O2S/c24-17-2-1-5-23(17)18-8-13-10-20-14(9-16(13)26-18)19(25)21-15-11-22-6-3-12(15)4-7-22/h8-10,12,15H,1-7,11H2,(H,21,25)/t15-/m0/s1
InChIKeyIPBJFOFIUHUOCN-HNNXBMFYSA-N
XLogP2.25
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 10178159
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 22047289
N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047030
methyl 3-[6-(1-azabicyclo[2.2.1]heptan-3-ylcarbamoyl)thieno[3,2-c]pyridin-2-yl]prop-2-ynoate
CID 22389273
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 22047625
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]furo[2,3-c]pyridine-5-(11C)carboxamide
CID 10084487
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide
CID 22047049
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-1-ylthieno[3,2-c]pyridine-6-carboxamide
CID 22047559
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyanoisoquinoline-3-carboxamide
CID 22243256
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide
CID 20806876

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide (CID 10292587) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1cc2sc(N3CCCC3=O)cc2cn1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
The InChIKey is IPBJFOFIUHUOCN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-17-2-1-5-23(17)18-8-13-10-20-14(9-16(13)26-18)19(25)21-15-11-22-6-3-12(15)4-7-22/h8-10,12,15H,1-7,11H2,(H,21,25)/t15-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 10292587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).