pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone

C15H15N3O2 — CID 110876433

IUPACpyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccncc1)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C15H15N3O2/c19-15(12-3-7-16-8-4-12)18-9-5-14(11-18)20-13-2-1-6-17-10-13/h1-4,6-8,10,14H,5,9,11H2
InChIKeyVLCLHHMEWIGIOM-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.77
Rot. Bonds3

About pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone

pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone (PubChem CID 110876433) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namepyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
PubChem CID110876433
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Namepyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccncc1)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C15H15N3O2/c19-15(12-3-7-16-8-4-12)18-9-5-14(11-18)20-13-2-1-6-17-10-13/h1-4,6-8,10,14H,5,9,11H2
InChIKeyVLCLHHMEWIGIOM-UHFFFAOYSA-N
XLogP1.77
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725
4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
CID 77094306
(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124568876
pyridin-4-yl-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97385687
(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 124593054
[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129491148
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
(3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone
CID 154795935
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635
(2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 99852524

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone (CID 110876433) is pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone is O=C(c1ccncc1)N1CCC(Oc2cccnc2)C1.
What is the InChIKey of pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The InChIKey is VLCLHHMEWIGIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(12-3-7-16-8-4-12)18-9-5-14(11-18)20-13-2-1-6-17-10-13/h1-4,6-8,10,14H,5,9,11H2.
What are the key properties of pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone has a molecular weight of 269.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 110876433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).