5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide

C22H19F3N4O2 — CID 156815680

IUPAC5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(-c2ccccn2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)15-5-7-20(28-12-15)31-16-8-10-29(13-16)19-6-4-14(11-17(19)21(26)30)18-3-1-2-9-27-18/h1-7,9,11-12,16H,8,10,13H2,(H2,26,30)/t16-/m0/s1
InChIKeyAHAOJNDJBYREPR-INIZCTEOSA-N
MW428.41 g/mol
LogP3.92
Rot. Bonds5

About 5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide

5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (PubChem CID 156815680) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
PubChem CID156815680
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(-c2ccccn2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)15-5-7-20(28-12-15)31-16-8-10-29(13-16)19-6-4-14(11-17(19)21(26)30)18-3-1-2-9-27-18/h1-7,9,11-12,16H,8,10,13H2,(H2,26,30)/t16-/m0/s1
InChIKeyAHAOJNDJBYREPR-INIZCTEOSA-N
XLogP3.92
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The IUPAC name of 5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (CID 156815680) is 5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The canonical SMILES for 5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is NC(=O)c1cc(-c2ccccn2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The InChIKey is AHAOJNDJBYREPR-INIZCTEOSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c23-22(24,25)15-5-7-20(28-12-15)31-16-8-10-29(13-16)19-6-4-14(11-17(19)21(26)30)18-3-1-2-9-27-18/h1-7,9,11-12,16H,8,10,13H2,(H2,26,30)/t16-/m0/s1.
What are the key properties of 5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide has a molecular weight of 428.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 156815680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).