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

C19H26N4OS — CID 66815025

IUPACN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide
SMILESCCN(CC)c1csc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc12
InChIInChI=1S/C19H26N4OS/c1-3-23(4-2)17-12-25-18-9-20-16(8-15(17)18)19(24)21-14-7-13-5-6-22(10-13)11-14/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,21,24)/t13-,14+/m0/s1
InChIKeyTVKJOZXSVOVGLU-UONOGXRCSA-N
MW358.51 g/mol
LogP2.97
Rot. Bonds5

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

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide (PubChem CID 66815025) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide
PubChem CID66815025
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide
SMILESCCN(CC)c1csc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc12
InChIInChI=1S/C19H26N4OS/c1-3-23(4-2)17-12-25-18-9-20-16(8-15(17)18)19(24)21-14-7-13-5-6-22(10-13)11-14/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,21,24)/t13-,14+/m0/s1
InChIKeyTVKJOZXSVOVGLU-UONOGXRCSA-N
XLogP2.97
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide
CID 22389432
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-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]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide
CID 66814922
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-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide
CID 90779569
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,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-prop-1-ynylthieno[3,2-c]pyridine-6-carboxamide
CID 66815162
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide
CID 87166132

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide (CID 66815025) is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide is CCN(CC)c1csc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc12.
What is the InChIKey of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide?
The InChIKey is TVKJOZXSVOVGLU-UONOGXRCSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-3-23(4-2)17-12-25-18-9-20-16(8-15(17)18)19(24)21-14-7-13-5-6-22(10-13)11-14/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,21,24)/t13-,14+/m0/s1.
What are the key properties of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide?
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 66815025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).