N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide

C24H24F2N4O5 — CID 118647065

IUPACN-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide
SMILESCC(C)Oc1ccc(C(F)(F)C(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc1
InChIInChI=1S/C24H24F2N4O5/c1-13(2)35-16-4-7-19(27-11-16)24(25,26)23(34)28-10-14-3-5-17-15(9-14)12-30(22(17)33)18-6-8-20(31)29-21(18)32/h3-5,7,9,11,13,18H,6,8,10,12H2,1-2H3,(H,28,34)(H,29,31,32)
InChIKeyPRTMHZHJOHIYDF-UHFFFAOYSA-N
MW486.48 g/mol
LogP2.04
Rot. Bonds7

About N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide

N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide (PubChem CID 118647065) has the molecular formula C24H24F2N4O5 and a molecular weight of 486.48 g/mol. Its IUPAC name is N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide
PubChem CID118647065
Molecular FormulaC24H24F2N4O5
Molecular Weight486.48 g/mol
Exact Mass486.17
IUPAC NameN-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide
SMILESCC(C)Oc1ccc(C(F)(F)C(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc1
InChIInChI=1S/C24H24F2N4O5/c1-13(2)35-16-4-7-19(27-11-16)24(25,26)23(34)28-10-14-3-5-17-15(9-14)12-30(22(17)33)18-6-8-20(31)29-21(18)32/h3-5,7,9,11,13,18H,6,8,10,12H2,1-2H3,(H,28,34)(H,29,31,32)
InChIKeyPRTMHZHJOHIYDF-UHFFFAOYSA-N
XLogP2.04
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 57948490
US9914740, VIII-16
CID 121363827
2-[3-(3-methoxyphenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 44467978
2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 44467979
3-oxo-2-(1-pyridin-2-ylpropan-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44476261
3-oxo-2-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44543781
3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44544347
3-oxo-2-(2-pyridin-2-ylethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-isoindole-1-carboxamide
CID 44544444
3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44544546
3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-2-[[5-(trifluoromethyl)pyridin-2-yl]methyl]-1H-isoindole-1-carboxamide
CID 44544950
2-(2,2-difluoro-2-pyridin-2-ylethyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545053
3-oxo-2-(3-pyridin-2-ylpropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545055

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide?
The IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide (CID 118647065) is N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide.
What is the SMILES notation for N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide?
The canonical SMILES for N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide is CC(C)Oc1ccc(C(F)(F)C(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc1.
What is the InChIKey of N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide?
The InChIKey is PRTMHZHJOHIYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O5/c1-13(2)35-16-4-7-19(27-11-16)24(25,26)23(34)28-10-14-3-5-17-15(9-14)12-30(22(17)33)18-6-8-20(31)29-21(18)32/h3-5,7,9,11,13,18H,6,8,10,12H2,1-2H3,(H,28,34)(H,29,31,32).
What are the key properties of N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide?
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide has a molecular weight of 486.48 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-propan-2-yloxy-2-pyridinyl)acetamide is sourced from PubChem (CID 118647065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).