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

C18H19F3N4O2 — CID 166683158

IUPAC5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESNCc1ccc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)c(C(N)=O)c1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)12-2-4-16(24-9-12)27-13-5-6-25(10-13)15-3-1-11(8-22)7-14(15)17(23)26/h1-4,7,9,13H,5-6,8,10,22H2,(H2,23,26)
InChIKeySRTDEKSCFAPLLY-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.32
Rot. Bonds5

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

5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (PubChem CID 166683158) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
PubChem CID166683158
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESNCc1ccc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)c(C(N)=O)c1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)12-2-4-16(24-9-12)27-13-5-6-25(10-13)15-3-1-11(8-22)7-14(15)17(23)26/h1-4,7,9,13H,5-6,8,10,22H2,(H2,23,26)
InChIKeySRTDEKSCFAPLLY-UHFFFAOYSA-N
XLogP2.32
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The IUPAC name of 5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (CID 166683158) is 5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The canonical SMILES for 5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is NCc1ccc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)c(C(N)=O)c1.
What is the InChIKey of 5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The InChIKey is SRTDEKSCFAPLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)12-2-4-16(24-9-12)27-13-5-6-25(10-13)15-3-1-11(8-22)7-14(15)17(23)26/h1-4,7,9,13H,5-6,8,10,22H2,(H2,23,26).
What are the key properties of 5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide has a molecular weight of 380.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 166683158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).