[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

C14H19N3O2 — CID 86820402

IUPAC[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1C[C@H](Oc2cccnc2)CN1)N1CCCC1
InChIInChI=1S/C14H19N3O2/c18-14(17-6-1-2-7-17)13-8-12(10-16-13)19-11-4-3-5-15-9-11/h3-5,9,12-13,16H,1-2,6-8,10H2/t12-,13-/m0/s1
InChIKeyLSORDMCSHJUTBU-STQMWFEESA-N
MW261.32 g/mol
LogP0.81
Rot. Bonds3

About [(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 86820402) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID86820402
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1C[C@H](Oc2cccnc2)CN1)N1CCCC1
InChIInChI=1S/C14H19N3O2/c18-14(17-6-1-2-7-17)13-8-12(10-16-13)19-11-4-3-5-15-9-11/h3-5,9,12-13,16H,1-2,6-8,10H2/t12-,13-/m0/s1
InChIKeyLSORDMCSHJUTBU-STQMWFEESA-N
XLogP0.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (CID 86820402) is [(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1C[C@H](Oc2cccnc2)CN1)N1CCCC1.
What is the InChIKey of [(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LSORDMCSHJUTBU-STQMWFEESA-N. The full InChI is InChI=1S/C14H19N3O2/c18-14(17-6-1-2-7-17)13-8-12(10-16-13)19-11-4-3-5-15-9-11/h3-5,9,12-13,16H,1-2,6-8,10H2/t12-,13-/m0/s1.
What are the key properties of [(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
[(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 261.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 86820402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).