N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide

C17H19N3OS — CID 10271460

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2cccnc2)s1
InChIInChI=1S/C17H19N3OS/c21-17(19-14-11-20-8-5-12(14)6-9-20)16-4-3-15(22-16)13-2-1-7-18-10-13/h1-4,7,10,12,14H,5-6,8-9,11H2,(H,19,21)/t14-/m0/s1
InChIKeyFPIGGZJRNAPCBW-AWEZNQCLSA-N
MW313.43 g/mol
LogP2.63
Rot. Bonds3

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 10271460) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
PubChem CID10271460
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2cccnc2)s1
InChIInChI=1S/C17H19N3OS/c21-17(19-14-11-20-8-5-12(14)6-9-20)16-4-3-15(22-16)13-2-1-7-18-10-13/h1-4,7,10,12,14H,5-6,8-9,11H2,(H,19,21)/t14-/m0/s1
InChIKeyFPIGGZJRNAPCBW-AWEZNQCLSA-N
XLogP2.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide (CID 10271460) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2cccnc2)s1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is FPIGGZJRNAPCBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-17(19-14-11-20-8-5-12(14)6-9-20)16-4-3-15(22-16)13-2-1-7-18-10-13/h1-4,7,10,12,14H,5-6,8-9,11H2,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 10271460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).