3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

C17H19N3O — CID 22961870

IUPAC3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESC(=C/c1cncc(OC[C@@H]2CCCN2)c1)\c1ccncc1
InChIInChI=1S/C17H19N3O/c1-2-16(20-7-1)13-21-17-10-15(11-19-12-17)4-3-14-5-8-18-9-6-14/h3-6,8-12,16,20H,1-2,7,13H2/b4-3+/t16-/m0/s1
InChIKeyUBTXPQLEIYAULK-CWDCEQMOSA-N
MW281.36 g/mol
LogP2.78
Rot. Bonds5

About 3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 22961870) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID22961870
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESC(=C/c1cncc(OC[C@@H]2CCCN2)c1)\c1ccncc1
InChIInChI=1S/C17H19N3O/c1-2-16(20-7-1)13-21-17-10-15(11-19-12-17)4-3-14-5-8-18-9-6-14/h3-6,8-12,16,20H,1-2,7,13H2/b4-3+/t16-/m0/s1
InChIKeyUBTXPQLEIYAULK-CWDCEQMOSA-N
XLogP2.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (CID 22961870) is 3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is C(=C/c1cncc(OC[C@@H]2CCCN2)c1)\c1ccncc1.
What is the InChIKey of 3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is UBTXPQLEIYAULK-CWDCEQMOSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-16(20-7-1)13-21-17-10-15(11-19-12-17)4-3-14-5-8-18-9-6-14/h3-6,8-12,16,20H,1-2,7,13H2/b4-3+/t16-/m0/s1.
What are the key properties of 3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 281.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-pyridin-4-ylethenyl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 22961870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).