pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C17H17N3O2 — CID 98780312

IUPACpyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESO=C(c1ccccn1)N1C[C@H]2CC[C@H]1[C@@H]2Oc1cccnc1
InChIInChI=1S/C17H17N3O2/c21-17(14-5-1-2-9-19-14)20-11-12-6-7-15(20)16(12)22-13-4-3-8-18-10-13/h1-5,8-10,12,15-16H,6-7,11H2/t12-,15+,16-/m1/s1
InChIKeyPXVJSKDOWZINAA-UHOFOFEASA-N
MW295.34 g/mol
LogP2.16
Rot. Bonds3

About pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone

pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 98780312) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID98780312
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Namepyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESO=C(c1ccccn1)N1C[C@H]2CC[C@H]1[C@@H]2Oc1cccnc1
InChIInChI=1S/C17H17N3O2/c21-17(14-5-1-2-9-19-14)20-11-12-6-7-15(20)16(12)22-13-4-3-8-18-10-13/h1-5,8-10,12,15-16H,6-7,11H2/t12-,15+,16-/m1/s1
InChIKeyPXVJSKDOWZINAA-UHOFOFEASA-N
XLogP2.16
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone with MolForge

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Related Compounds

[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyridin-2-ylmethanone
CID 110131221
pyridin-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185862
[(2S,4S)-1-(pyridine-2-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198917
(3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 98750535
[(1S,4R,7S)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 98780346
[(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone
CID 98780270
[(4aR,7R,7aS)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrazin-2-ylmethanone
CID 124794943
pyridin-2-yl-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97395040
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
(1S,4R,7S)-2-(4-fluorophenyl)sulfonyl-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptane
CID 98780309
(4-pyrazin-2-yloxypiperidin-1-yl)-pyridin-2-ylmethanone
CID 71799257

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 98780312) is pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone is O=C(c1ccccn1)N1C[C@H]2CC[C@H]1[C@@H]2Oc1cccnc1.
What is the InChIKey of pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is PXVJSKDOWZINAA-UHOFOFEASA-N. The full InChI is InChI=1S/C17H17N3O2/c21-17(14-5-1-2-9-19-14)20-11-12-6-7-15(20)16(12)22-13-4-3-8-18-10-13/h1-5,8-10,12,15-16H,6-7,11H2/t12-,15+,16-/m1/s1.
What are the key properties of pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 295.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 98780312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).