N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide

C21H26N4O2S — CID 22047289

IUPACN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
SMILESCC1C(NC(=O)c2cc3sc(N4CCCCC4=O)cc3cn2)C2CCN1CC2
InChIInChI=1S/C21H26N4O2S/c1-13-20(14-5-8-24(13)9-6-14)23-21(27)16-11-17-15(12-22-16)10-19(28-17)25-7-3-2-4-18(25)26/h10-14,20H,2-9H2,1H3,(H,23,27)
InChIKeyOEIQUGQVRXNPBA-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.03
Rot. Bonds3

About N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide (PubChem CID 22047289) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
PubChem CID22047289
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
SMILESCC1C(NC(=O)c2cc3sc(N4CCCCC4=O)cc3cn2)C2CCN1CC2
InChIInChI=1S/C21H26N4O2S/c1-13-20(14-5-8-24(13)9-6-14)23-21(27)16-11-17-15(12-22-16)10-19(28-17)25-7-3-2-4-18(25)26/h10-14,20H,2-9H2,1H3,(H,23,27)
InChIKeyOEIQUGQVRXNPBA-UHFFFAOYSA-N
XLogP3.03
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 22047625
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-1-ylthieno[3,2-c]pyridine-6-carboxamide
CID 22047559
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-piperazin-1-ylthieno[3,2-c]pyridine-6-carboxamide
CID 22047204
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 10292587
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzothiolo[3,2-c]pyridine-3-carboxamide
CID 21034438
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 10178159
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-(azetidine-1-carbonyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furo[3,2-c]pyridine-6-carboxamide
CID 22047619
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
3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047221
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-[(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

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide (CID 22047289) is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide is CC1C(NC(=O)c2cc3sc(N4CCCCC4=O)cc3cn2)C2CCN1CC2.
What is the InChIKey of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
The InChIKey is OEIQUGQVRXNPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-13-20(14-5-8-24(13)9-6-14)23-21(27)16-11-17-15(12-22-16)10-19(28-17)25-7-3-2-4-18(25)26/h10-14,20H,2-9H2,1H3,(H,23,27).
What are the key properties of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.03, 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)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 22047289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).