1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one

C17H16F3N3O2 — CID 153337834

IUPAC1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cn1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)14-6-4-12(10-24)16(22-14)11-3-5-13(21-8-11)9-23-7-1-2-15(23)25/h3-6,8,24H,1-2,7,9-10H2
InChIKeySUCRZTMDEXZFRM-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.78
Rot. Bonds4

About 1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one

1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 153337834) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID153337834
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cn1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)14-6-4-12(10-24)16(22-14)11-3-5-13(21-8-11)9-23-7-1-2-15(23)25/h3-6,8,24H,1-2,7,9-10H2
InChIKeySUCRZTMDEXZFRM-UHFFFAOYSA-N
XLogP2.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one (CID 153337834) is 1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cn1.
What is the InChIKey of 1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is SUCRZTMDEXZFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)14-6-4-12(10-24)16(22-14)11-3-5-13(21-8-11)9-23-7-1-2-15(23)25/h3-6,8,24H,1-2,7,9-10H2.
What are the key properties of 1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 351.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 153337834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).