N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide

C17H22N4OS — CID 22389432

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide
SMILESCN(C)c1csc2cnc(C(=O)NC3CC4CCN(C4)C3)cc12
InChIInChI=1S/C17H22N4OS/c1-20(2)15-10-23-16-7-18-14(6-13(15)16)17(22)19-12-5-11-3-4-21(8-11)9-12/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,22)
InChIKeyBTPBSYFSRUZJMR-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.19
Rot. Bonds3

About N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide (PubChem CID 22389432) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide
PubChem CID22389432
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide
SMILESCN(C)c1csc2cnc(C(=O)NC3CC4CCN(C4)C3)cc12
InChIInChI=1S/C17H22N4OS/c1-20(2)15-10-23-16-7-18-14(6-13(15)16)17(22)19-12-5-11-3-4-21(8-11)9-12/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,22)
InChIKeyBTPBSYFSRUZJMR-UHFFFAOYSA-N
XLogP2.19
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide
CID 66815025
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide
CID 66814952
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(aziridine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide
CID 22389370
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-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide
CID 66814792
N-(1-azabicyclo[3.2.1]octan-3-yl)-[1,3]thiazolo[5,4-c]pyridine-6-carboxamide
CID 22591307
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide
CID 20806941
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide
CID 87925247
2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide
CID 66814918
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide
CID 66814922
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide
CID 66814653

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide (CID 22389432) is N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide is CN(C)c1csc2cnc(C(=O)NC3CC4CCN(C4)C3)cc12.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide?
The InChIKey is BTPBSYFSRUZJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-20(2)15-10-23-16-7-18-14(6-13(15)16)17(22)19-12-5-11-3-4-21(8-11)9-12/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 22389432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).