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

C22H19F3N4O2 — CID 156814804

IUPAC5-pyridin-3-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(-c2cccnc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)16-4-6-20(28-12-16)31-17-7-9-29(13-17)19-5-3-14(10-18(19)21(26)30)15-2-1-8-27-11-15/h1-6,8,10-12,17H,7,9,13H2,(H2,26,30)/t17-/m0/s1
InChIKeyQNZUPJIURGHSCM-KRWDZBQOSA-N
MW428.41 g/mol
LogP3.92
Rot. Bonds5

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

5-pyridin-3-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (PubChem CID 156814804) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 5-pyridin-3-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name5-pyridin-3-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
PubChem CID156814804
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name5-pyridin-3-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(-c2cccnc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)16-4-6-20(28-12-16)31-17-7-9-29(13-17)19-5-3-14(10-18(19)21(26)30)15-2-1-8-27-11-15/h1-6,8,10-12,17H,7,9,13H2,(H2,26,30)/t17-/m0/s1
InChIKeyQNZUPJIURGHSCM-KRWDZBQOSA-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-3-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The IUPAC name of 5-pyridin-3-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (CID 156814804) is 5-pyridin-3-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 5-pyridin-3-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The canonical SMILES for 5-pyridin-3-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is NC(=O)c1cc(-c2cccnc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 5-pyridin-3-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The InChIKey is QNZUPJIURGHSCM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c23-22(24,25)16-4-6-20(28-12-16)31-17-7-9-29(13-17)19-5-3-14(10-18(19)21(26)30)15-2-1-8-27-11-15/h1-6,8,10-12,17H,7,9,13H2,(H2,26,30)/t17-/m0/s1.
What are the key properties of 5-pyridin-3-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
5-pyridin-3-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-3-yl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 156814804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).