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

C18H21N3OS — CID 22047221

IUPAC3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
SMILESC=Cc1csc2cnc(C(=O)NC3C4CCN(CC4)C3C)cc12
InChIInChI=1S/C18H21N3OS/c1-3-12-10-23-16-9-19-15(8-14(12)16)18(22)20-17-11(2)21-6-4-13(17)5-7-21/h3,8-11,13,17H,1,4-7H2,2H3,(H,20,22)
InChIKeyZAYDLIOJGLVYGO-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.15
Rot. Bonds3

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

3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide (PubChem CID 22047221) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
PubChem CID22047221
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
SMILESC=Cc1csc2cnc(C(=O)NC3C4CCN(CC4)C3C)cc12
InChIInChI=1S/C18H21N3OS/c1-3-12-10-23-16-9-19-15(8-14(12)16)18(22)20-17-11(2)21-6-4-13(17)5-7-21/h3,8-11,13,17H,1,4-7H2,2H3,(H,20,22)
InChIKeyZAYDLIOJGLVYGO-UHFFFAOYSA-N
XLogP3.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047576
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethenylthieno[2,3-c]pyridine-5-carboxamide
CID 22389089
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047205
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-oxopiperazin-1-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 21034420
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide
CID 66814576
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide
CID 66814575
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzothiolo[3,2-c]pyridine-3-carboxamide
CID 21034438
3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
CID 10267724
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide
CID 22047003
2-cyano-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 22047026
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-1-ylthieno[3,2-c]pyridine-6-carboxamide
CID 22047559
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-8λ3-ioda-7-oxa-3-azabicyclo[4.3.0]nona-1,3,5,8-tetraene-4-carboxamide
CID 142665738

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide (CID 22047221) is 3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide is C=Cc1csc2cnc(C(=O)NC3C4CCN(CC4)C3C)cc12.
What is the InChIKey of 3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide?
The InChIKey is ZAYDLIOJGLVYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-3-12-10-23-16-9-19-15(8-14(12)16)18(22)20-17-11(2)21-6-4-13(17)5-7-21/h3,8-11,13,17H,1,4-7H2,2H3,(H,20,22).
What are the key properties of 3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide?
3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 22047221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).