1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one

C19H19F3N2O2 — CID 153337819

IUPAC1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one
SMILESCc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)cc2)c1CO
InChIInChI=1S/C19H19F3N2O2/c1-12-9-16(19(20,21)22)23-18(15(12)11-25)14-6-4-13(5-7-14)10-24-8-2-3-17(24)26/h4-7,9,25H,2-3,8,10-11H2,1H3
InChIKeyKWCSWPVMCDRAPP-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.69
Rot. Bonds4

About 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one

1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 153337819) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID153337819
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one
SMILESCc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)cc2)c1CO
InChIInChI=1S/C19H19F3N2O2/c1-12-9-16(19(20,21)22)23-18(15(12)11-25)14-6-4-13(5-7-14)10-24-8-2-3-17(24)26/h4-7,9,25H,2-3,8,10-11H2,1H3
InChIKeyKWCSWPVMCDRAPP-UHFFFAOYSA-N
XLogP3.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one (CID 153337819) is 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one is Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)cc2)c1CO.
What is the InChIKey of 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is KWCSWPVMCDRAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-12-9-16(19(20,21)22)23-18(15(12)11-25)14-6-4-13(5-7-14)10-24-8-2-3-17(24)26/h4-7,9,25H,2-3,8,10-11H2,1H3.
What are the key properties of 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 364.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 153337819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).