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

C17H21N3O2S — CID 22047003

IUPACN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide
SMILESCSc1coc2cnc(C(=O)NC3C4CCN(CC4)C3C)cc12
InChIInChI=1S/C17H21N3O2S/c1-10-16(11-3-5-20(10)6-4-11)19-17(21)13-7-12-14(8-18-13)22-9-15(12)23-2/h7-11,16H,3-6H2,1-2H3,(H,19,21)
InChIKeyGAFMCPWRCNJKMO-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.76
Rot. Bonds3

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

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide (PubChem CID 22047003) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide
PubChem CID22047003
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide
SMILESCSc1coc2cnc(C(=O)NC3C4CCN(CC4)C3C)cc12
InChIInChI=1S/C17H21N3O2S/c1-10-16(11-3-5-20(10)6-4-11)19-17(21)13-7-12-14(8-18-13)22-9-15(12)23-2/h7-11,16H,3-6H2,1-2H3,(H,19,21)
InChIKeyGAFMCPWRCNJKMO-UHFFFAOYSA-N
XLogP2.76
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide
CID 22047163
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(1,2,4-triazol-1-yl)furo[2,3-c]pyridine-5-carboxamide
CID 22046974
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzothiolo[3,2-c]pyridine-3-carboxamide
CID 21034438
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
3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047221
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide
CID 22047200
2-(azetidine-1-carbonyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furo[3,2-c]pyridine-6-carboxamide
CID 22047619
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(1,2,4-triazol-1-yl)furo[3,2-c]pyridine-6-carboxamide
CID 22047038
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-(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
2-cyano-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 22047026

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide (CID 22047003) is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide is CSc1coc2cnc(C(=O)NC3C4CCN(CC4)C3C)cc12.
What is the InChIKey of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide?
The InChIKey is GAFMCPWRCNJKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-10-16(11-3-5-20(10)6-4-11)19-17(21)13-7-12-14(8-18-13)22-9-15(12)23-2/h7-11,16H,3-6H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide?
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 22047003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).