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

C17H19N3OS — CID 66814576

IUPACN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide
SMILESC=Cc1csc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc12
InChIInChI=1S/C17H19N3OS/c1-2-12-10-22-16-7-18-15(6-14(12)16)17(21)19-13-5-11-3-4-20(8-11)9-13/h2,6-7,10-11,13H,1,3-5,8-9H2,(H,19,21)/t11-,13+/m0/s1
InChIKeyMVUCDGSOHASWFG-WCQYABFASA-N
MW313.43 g/mol
LogP2.76
Rot. Bonds3

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

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide (PubChem CID 66814576) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide
PubChem CID66814576
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide
SMILESC=Cc1csc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc12
InChIInChI=1S/C17H19N3OS/c1-2-12-10-22-16-7-18-15(6-14(12)16)17(21)19-13-5-11-3-4-20(8-11)9-13/h2,6-7,10-11,13H,1,3-5,8-9H2,(H,19,21)/t11-,13+/m0/s1
InChIKeyMVUCDGSOHASWFG-WCQYABFASA-N
XLogP2.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide
CID 66815025
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide
CID 22389432
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethenylthieno[2,3-c]pyridine-5-carboxamide
CID 22389089
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-(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-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
CID 66814884
3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047221
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide
CID 87166132
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-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide (CID 66814576) is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide is C=Cc1csc2cnc(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-ethenylthieno[2,3-c]pyridine-5-carboxamide?
The InChIKey is MVUCDGSOHASWFG-WCQYABFASA-N. The full InChI is InChI=1S/C17H19N3OS/c1-2-12-10-22-16-7-18-15(6-14(12)16)17(21)19-13-5-11-3-4-20(8-11)9-13/h2,6-7,10-11,13H,1,3-5,8-9H2,(H,19,21)/t11-,13+/m0/s1.
What are the key properties of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide?
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 66814576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).