1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one

C18H18F3N3O — CID 86979298

IUPAC1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccccc1CNc1ncccc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)15-7-3-9-22-17(15)23-11-13-5-1-2-6-14(13)12-24-10-4-8-16(24)25/h1-3,5-7,9H,4,8,10-12H2,(H,22,23)
InChIKeyOAMKMCUIADBWFY-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.83
Rot. Bonds5

About 1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one

1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 86979298) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is 1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID86979298
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccccc1CNc1ncccc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)15-7-3-9-22-17(15)23-11-13-5-1-2-6-14(13)12-24-10-4-8-16(24)25/h1-3,5-7,9H,4,8,10-12H2,(H,22,23)
InChIKeyOAMKMCUIADBWFY-UHFFFAOYSA-N
XLogP3.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one (CID 86979298) is 1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccccc1CNc1ncccc1C(F)(F)F.
What is the InChIKey of 1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is OAMKMCUIADBWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c19-18(20,21)15-7-3-9-22-17(15)23-11-13-5-1-2-6-14(13)12-24-10-4-8-16(24)25/h1-3,5-7,9H,4,8,10-12H2,(H,22,23).
What are the key properties of 1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one?
1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 349.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 86979298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).