3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one

C19H20F2N2O4 — CID 170264622

IUPAC3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one
SMILESCOc1cc(F)c([C@H]2CC(=O)N(c3cccn(CCO)c3=O)[C@H]2C)c(F)c1
InChIInChI=1S/C19H20F2N2O4/c1-11-13(18-14(20)8-12(27-2)9-15(18)21)10-17(25)23(11)16-4-3-5-22(6-7-24)19(16)26/h3-5,8-9,11,13,24H,6-7,10H2,1-2H3/t11-,13-/m0/s1
InChIKeyUNWCYAWXPRRTQT-AAEUAGOBSA-N
MW378.38 g/mol
LogP2.04
Rot. Bonds5

About 3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one

3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one (PubChem CID 170264622) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is 3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one
PubChem CID170264622
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Name3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one
SMILESCOc1cc(F)c([C@H]2CC(=O)N(c3cccn(CCO)c3=O)[C@H]2C)c(F)c1
InChIInChI=1S/C19H20F2N2O4/c1-11-13(18-14(20)8-12(27-2)9-15(18)21)10-17(25)23(11)16-4-3-5-22(6-7-24)19(16)26/h3-5,8-9,11,13,24H,6-7,10H2,1-2H3/t11-,13-/m0/s1
InChIKeyUNWCYAWXPRRTQT-AAEUAGOBSA-N
XLogP2.04
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-hydroxyethyl)-2-oxo-3-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]-3-[4-(difluoromethyl)cyclohexyl]urea
CID 166976030
1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-hydroxyethyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-3-[4-(difluoromethyl)cyclohexyl]urea
CID 169075810
1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one
CID 162437799
3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one
CID 170366587
4-chloro-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide
CID 169319443
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide
CID 162437923
3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367470
N-[(4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 162437871
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2,3-dihydroxypropyl)pyridin-2-one;fluoromethanol;4-fluoro-N-methylbenzamide
CID 162437890
1-benzyl-4-(2,6-difluoro-4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 134347537
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169318954
(4R,5S)-4-(2-fluoro-4-methoxy-6-methylphenyl)-1-[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]-5-methylpyrrolidin-2-one
CID 170370288

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one?
The IUPAC name of 3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one (CID 170264622) is 3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one.
What is the SMILES notation for 3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one?
The canonical SMILES for 3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one is COc1cc(F)c([C@H]2CC(=O)N(c3cccn(CCO)c3=O)[C@H]2C)c(F)c1.
What is the InChIKey of 3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one?
The InChIKey is UNWCYAWXPRRTQT-AAEUAGOBSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-11-13(18-14(20)8-12(27-2)9-15(18)21)10-17(25)23(11)16-4-3-5-22(6-7-24)19(16)26/h3-5,8-9,11,13,24H,6-7,10H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of 3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one?
3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one has a molecular weight of 378.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one is sourced from PubChem (CID 170264622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).