1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one

C18H18F3N3O2 — CID 166563764

IUPAC1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCc1c(CO)cnc(-c2ccc(CN3CCCC3=O)nc2)c1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c1-11-13(10-25)8-23-17(16(11)18(19,20)21)12-4-5-14(22-7-12)9-24-6-2-3-15(24)26/h4-5,7-8,25H,2-3,6,9-10H2,1H3
InChIKeyCWSIPJBSFOYNHE-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.09
Rot. Bonds4

About 1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one

1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 166563764) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID166563764
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCc1c(CO)cnc(-c2ccc(CN3CCCC3=O)nc2)c1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c1-11-13(10-25)8-23-17(16(11)18(19,20)21)12-4-5-14(22-7-12)9-24-6-2-3-15(24)26/h4-5,7-8,25H,2-3,6,9-10H2,1H3
InChIKeyCWSIPJBSFOYNHE-UHFFFAOYSA-N
XLogP3.09
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(2-Methyl-pyridin-3-yl)-[4-(4,4,4-trifluoro-3-hydroxy-3-phenyl-butyryl)-piperazin-1-yl]-acetonitrile
CID 10002913
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-(pyridin-2-yl)piperidin-1-yl)methanone
CID 46885815
4,4'-Bis(hydroxymethyl)-2,2'-bipyridine
CID 11160239
((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridin-3-yl)pyrrolidin-3-yl)((3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone
CID 46885481
2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
CID 134135994
2-methyl-8-[5-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
CID 134152002
US10239838, Example 54
CID 121413994
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379650
Preparation of N-[(2S)-2-Hydroxy-2-(3-Pyridyl)Ethyl]-N-Propyl-2-[6-(Trifluoromethyl)-3-Pyridyl]Acetamide
CID 162379661
N-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379668
N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379679
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 162379695

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one (CID 166563764) is 1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one is Cc1c(CO)cnc(-c2ccc(CN3CCCC3=O)nc2)c1C(F)(F)F.
What is the InChIKey of 1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is CWSIPJBSFOYNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-11-13(10-25)8-23-17(16(11)18(19,20)21)12-4-5-14(22-7-12)9-24-6-2-3-15(24)26/h4-5,7-8,25H,2-3,6,9-10H2,1H3.
What are the key properties of 1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 365.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[5-(hydroxymethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 166563764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).