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

C17H20N4O2S — CID 87925247

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide
SMILESCN(C=O)c1csc2cnc(C(=O)N[C@H]3CN4CCC3CC4)cc12
InChIInChI=1S/C17H20N4O2S/c1-20(10-22)15-9-24-16-7-18-13(6-12(15)16)17(23)19-14-8-21-4-2-11(14)3-5-21/h6-7,9-11,14H,2-5,8H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyXXZBJVDMYMVDAW-AWEZNQCLSA-N
MW344.44 g/mol
LogP1.71
Rot. Bonds4

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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide (PubChem CID 87925247) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide
PubChem CID87925247
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide
SMILESCN(C=O)c1csc2cnc(C(=O)N[C@H]3CN4CCC3CC4)cc12
InChIInChI=1S/C17H20N4O2S/c1-20(10-22)15-9-24-16-7-18-13(6-12(15)16)17(23)19-14-8-21-4-2-11(14)3-5-21/h6-7,9-11,14H,2-5,8H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyXXZBJVDMYMVDAW-AWEZNQCLSA-N
XLogP1.71
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide
CID 20806941
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-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide
CID 22389432
N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047030
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide
CID 22389279
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide
CID 22047077
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide
CID 66815025
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)-4-(ethylamino)pyridine-2-carboxamide
CID 62167266
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyanoisoquinoline-3-carboxamide
CID 22243256
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethenylfuro[2,3-c]pyridine-5-carboxamide
CID 22047414
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide
CID 91948681

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide (CID 87925247) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide is CN(C=O)c1csc2cnc(C(=O)N[C@H]3CN4CCC3CC4)cc12.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide?
The InChIKey is XXZBJVDMYMVDAW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-20(10-22)15-9-24-16-7-18-13(6-12(15)16)17(23)19-14-8-21-4-2-11(14)3-5-21/h6-7,9-11,14H,2-5,8H2,1H3,(H,19,23)/t14-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.71, 4 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]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 87925247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).