N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide

C18H21N3OS — CID 18181309

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide
SMILESCc1cc(-c2ccc(C(=O)NC3CN4CCC3CC4)s2)ccn1
InChIInChI=1S/C18H21N3OS/c1-12-10-14(4-7-19-12)16-2-3-17(23-16)18(22)20-15-11-21-8-5-13(15)6-9-21/h2-4,7,10,13,15H,5-6,8-9,11H2,1H3,(H,20,22)
InChIKeyTWJYQWBMHMZDKA-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.94
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide (PubChem CID 18181309) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide
PubChem CID18181309
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide
SMILESCc1cc(-c2ccc(C(=O)NC3CN4CCC3CC4)s2)ccn1
InChIInChI=1S/C18H21N3OS/c1-12-10-14(4-7-19-12)16-2-3-17(23-16)18(22)20-15-11-21-8-5-13(15)6-9-21/h2-4,7,10,13,15H,5-6,8-9,11H2,1H3,(H,20,22)
InChIKeyTWJYQWBMHMZDKA-UHFFFAOYSA-N
XLogP2.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 23599499
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 10271460
5-(3-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180969
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 10291113
5-[3-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-N-ethylthiophene-2-carboxamide
CID 126426560
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide
CID 10155631
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 18180343
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1H-imidazol-5-yl)thiophene-2-carboxamide
CID 18181434
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 10203400
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 77498341
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(3-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 20815167

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide (CID 18181309) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide is Cc1cc(-c2ccc(C(=O)NC3CN4CCC3CC4)s2)ccn1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide?
The InChIKey is TWJYQWBMHMZDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12-10-14(4-7-19-12)16-2-3-17(23-16)18(22)20-15-11-21-8-5-13(15)6-9-21/h2-4,7,10,13,15H,5-6,8-9,11H2,1H3,(H,20,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 18181309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).