N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide

C13H17N3O — CID 10263302

IUPACN-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CN2CCC1CC2
InChIInChI=1S/C13H17N3O/c17-13(15-11-2-1-5-14-8-11)12-9-16-6-3-10(12)4-7-16/h1-2,5,8,10,12H,3-4,6-7,9H2,(H,15,17)
InChIKeyRFVABVROUPDXBR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.36
Rot. Bonds2

About N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide

N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide (PubChem CID 10263302) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide
PubChem CID10263302
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CN2CCC1CC2
InChIInChI=1S/C13H17N3O/c17-13(15-11-2-1-5-14-8-11)12-9-16-6-3-10(12)4-7-16/h1-2,5,8,10,12H,3-4,6-7,9H2,(H,15,17)
InChIKeyRFVABVROUPDXBR-UHFFFAOYSA-N
XLogP1.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 790200
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6950908
2-amino-N-pyridin-3-ylcyclopentane-1-carboxamide
CID 64817349
(3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97364670
2-methyl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 79383379
1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 140521967
4-hydroxy-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 112524091
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
(3R,3aS,6aS)-5-(oxan-4-yl)-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
CID 97486367
(1S,5R,6R)-3-methyl-N-pyridin-3-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133141739
1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110269133

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide?
The IUPAC name of N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide (CID 10263302) is N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide?
The canonical SMILES for N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide is O=C(Nc1cccnc1)C1CN2CCC1CC2.
What is the InChIKey of N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide?
The InChIKey is RFVABVROUPDXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(15-11-2-1-5-14-8-11)12-9-16-6-3-10(12)4-7-16/h1-2,5,8,10,12H,3-4,6-7,9H2,(H,15,17).
What are the key properties of N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide?
N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide is sourced from PubChem (CID 10263302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).