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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Related Compounds

1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 62464540
N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 61402525
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one
CID 55075717
1-[[2-[[5-chloro-2-nitro-4-(trifluoromethyl)anilino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 46405123
1-[[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 32803812
1-(quinolin-8-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 42344492
1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 72921710
1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one
CID 58268580
1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone
CID 115677839
2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974895
1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione
CID 79517938

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).