5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide

C22H21N3O2 — CID 166681295

IUPAC5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ccccn2)C1
InChIInChI=1S/C22H21N3O2/c23-22(26)19-14-17(16-6-2-1-3-7-16)9-10-20(19)25-13-11-18(15-25)27-21-8-4-5-12-24-21/h1-10,12,14,18H,11,13,15H2,(H2,23,26)/t18-/m0/s1
InChIKeyHTBDUQYLPUXEMT-SFHVURJKSA-N
MW359.43 g/mol
LogP3.51
Rot. Bonds5

About 5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide

5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide (PubChem CID 166681295) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide
PubChem CID166681295
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ccccn2)C1
InChIInChI=1S/C22H21N3O2/c23-22(26)19-14-17(16-6-2-1-3-7-16)9-10-20(19)25-13-11-18(15-25)27-21-8-4-5-12-24-21/h1-10,12,14,18H,11,13,15H2,(H2,23,26)/t18-/m0/s1
InChIKeyHTBDUQYLPUXEMT-SFHVURJKSA-N
XLogP3.51
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide?
The IUPAC name of 5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide (CID 166681295) is 5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide.
What is the SMILES notation for 5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide?
The canonical SMILES for 5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide is NC(=O)c1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ccccn2)C1.
What is the InChIKey of 5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide?
The InChIKey is HTBDUQYLPUXEMT-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21N3O2/c23-22(26)19-14-17(16-6-2-1-3-7-16)9-10-20(19)25-13-11-18(15-25)27-21-8-4-5-12-24-21/h1-10,12,14,18H,11,13,15H2,(H2,23,26)/t18-/m0/s1.
What are the key properties of 5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide?
5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide is sourced from PubChem (CID 166681295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).