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

C18H20N6OS — CID 22047576

IUPACN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide
SMILESCC1C(NC(=O)c2cc3c(-n4ccnn4)csc3cn2)C2CCN1CC2
InChIInChI=1S/C18H20N6OS/c1-11-17(12-2-5-23(11)6-3-12)21-18(25)14-8-13-15(24-7-4-20-22-24)10-26-16(13)9-19-14/h4,7-12,17H,2-3,5-6H2,1H3,(H,21,25)
InChIKeyYJMHFABPRGIZRB-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.09
Rot. Bonds3

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

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide (PubChem CID 22047576) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide
PubChem CID22047576
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide
SMILESCC1C(NC(=O)c2cc3c(-n4ccnn4)csc3cn2)C2CCN1CC2
InChIInChI=1S/C18H20N6OS/c1-11-17(12-2-5-23(11)6-3-12)21-18(25)14-8-13-15(24-7-4-20-22-24)10-26-16(13)9-19-14/h4,7-12,17H,2-3,5-6H2,1H3,(H,21,25)
InChIKeyYJMHFABPRGIZRB-UHFFFAOYSA-N
XLogP2.09
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047221
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-oxopiperazin-1-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 21034420
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzothiolo[3,2-c]pyridine-3-carboxamide
CID 21034438
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-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide
CID 22047003
2-cyano-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 22047026
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-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-1-ylthieno[3,2-c]pyridine-6-carboxamide
CID 22047559
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
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-piperazin-1-ylthieno[3,2-c]pyridine-6-carboxamide
CID 22047204
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

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide (CID 22047576) is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide is CC1C(NC(=O)c2cc3c(-n4ccnn4)csc3cn2)C2CCN1CC2.
What is the InChIKey of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide?
The InChIKey is YJMHFABPRGIZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-11-17(12-2-5-23(11)6-3-12)21-18(25)14-8-13-15(24-7-4-20-22-24)10-26-16(13)9-19-14/h4,7-12,17H,2-3,5-6H2,1H3,(H,21,25).
What are the key properties of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide?
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 22047576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).