3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one

C23H26F2N2O4 — CID 170369474

IUPAC3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one
SMILESCOc1cc(F)c([C@H]2CC(=O)N(c3c(C)ccn(CC4CCOCC4)c3=O)C2)c(F)c1
InChIInChI=1S/C23H26F2N2O4/c1-14-3-6-26(12-15-4-7-31-8-5-15)23(29)22(14)27-13-16(9-20(27)28)21-18(24)10-17(30-2)11-19(21)25/h3,6,10-11,15-16H,4-5,7-9,12-13H2,1-2H3/t16-/m0/s1
InChIKeyQKYUCJXHQZDQDV-INIZCTEOSA-N
MW432.47 g/mol
LogP3.39
Rot. Bonds5

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

3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one (PubChem CID 170369474) has the molecular formula C23H26F2N2O4 and a molecular weight of 432.47 g/mol. Its IUPAC name is 3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one
PubChem CID170369474
Molecular FormulaC23H26F2N2O4
Molecular Weight432.47 g/mol
Exact Mass432.19
IUPAC Name3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one
SMILESCOc1cc(F)c([C@H]2CC(=O)N(c3c(C)ccn(CC4CCOCC4)c3=O)C2)c(F)c1
InChIInChI=1S/C23H26F2N2O4/c1-14-3-6-26(12-15-4-7-31-8-5-15)23(29)22(14)27-13-16(9-20(27)28)21-18(24)10-17(30-2)11-19(21)25/h3,6,10-11,15-16H,4-5,7-9,12-13H2,1-2H3/t16-/m0/s1
InChIKeyQKYUCJXHQZDQDV-INIZCTEOSA-N
XLogP3.39
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxetan-2-ylmethyl)pyridin-2-one;fluoromethanol;1-fluoro-4-methylbenzene;N-methylformamide
CID 162437252
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(1-oxothian-4-yl)pyridin-2-one
CID 162437746
3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one
CID 170366841
4-(difluoromethoxy)-N-methylbenzamide;3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-hydroxypropyl)-4-methylpyridin-2-one
CID 162437914
1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one
CID 162437725
1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one
CID 170370781
3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367470
(4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 170370379
3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one
CID 115634011
6-ethyl-3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367683
4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methyl-1-(oxetan-2-ylmethyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
CID 169319519
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide
CID 162437472

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one?
The IUPAC name of 3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one (CID 170369474) is 3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one is COc1cc(F)c([C@H]2CC(=O)N(c3c(C)ccn(CC4CCOCC4)c3=O)C2)c(F)c1.
What is the InChIKey of 3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one?
The InChIKey is QKYUCJXHQZDQDV-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26F2N2O4/c1-14-3-6-26(12-15-4-7-31-8-5-15)23(29)22(14)27-13-16(9-20(27)28)21-18(24)10-17(30-2)11-19(21)25/h3,6,10-11,15-16H,4-5,7-9,12-13H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one?
3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one has a molecular weight of 432.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 170369474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).