N-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C23H20F3N3O4 — CID 162570024

IUPACN-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@]1(C2CCC(=O)NC2=O)Cc2cc(CNC(=O)c3ccc(C(F)(F)F)nc3)ccc2C1=O
InChIInChI=1S/C23H20F3N3O4/c1-22(16-5-7-18(30)29-21(16)33)9-14-8-12(2-4-15(14)19(22)31)10-28-20(32)13-3-6-17(27-11-13)23(24,25)26/h2-4,6,8,11,16H,5,7,9-10H2,1H3,(H,28,32)(H,29,30,33)/t16?,22-/m0/s1
InChIKeyUJBOSMMXAWUBTM-XLDIYJRPSA-N
MW459.42 g/mol
LogP2.83
Rot. Bonds4

About N-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 162570024) has the molecular formula C23H20F3N3O4 and a molecular weight of 459.42 g/mol. Its IUPAC name is N-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID162570024
Molecular FormulaC23H20F3N3O4
Molecular Weight459.42 g/mol
Exact Mass459.14
IUPAC NameN-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@]1(C2CCC(=O)NC2=O)Cc2cc(CNC(=O)c3ccc(C(F)(F)F)nc3)ccc2C1=O
InChIInChI=1S/C23H20F3N3O4/c1-22(16-5-7-18(30)29-21(16)33)9-14-8-12(2-4-15(14)19(22)31)10-28-20(32)13-3-6-17(27-11-13)23(24,25)26/h2-4,6,8,11,16H,5,7,9-10H2,1H3,(H,28,32)(H,29,30,33)/t16?,22-/m0/s1
InChIKeyUJBOSMMXAWUBTM-XLDIYJRPSA-N
XLogP2.83
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-methyl-2-pyridinyl)acetamide
CID 175954652
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-methylsulfonylbenzamide
CID 44538015
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetamide
CID 118647079
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 24789038
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122162248
4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 24788307
4-[3-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide
CID 168863661
4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 71197021
N-[(4-morpholin-2-ylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67240344
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315627
3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 163398213
4-acetyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 71122531

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 162570024) is N-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is C[C@@]1(C2CCC(=O)NC2=O)Cc2cc(CNC(=O)c3ccc(C(F)(F)F)nc3)ccc2C1=O.
What is the InChIKey of N-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is UJBOSMMXAWUBTM-XLDIYJRPSA-N. The full InChI is InChI=1S/C23H20F3N3O4/c1-22(16-5-7-18(30)29-21(16)33)9-14-8-12(2-4-15(14)19(22)31)10-28-20(32)13-3-6-17(27-11-13)23(24,25)26/h2-4,6,8,11,16H,5,7,9-10H2,1H3,(H,28,32)(H,29,30,33)/t16?,22-/m0/s1.
What are the key properties of N-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 459.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2-(2,6-dioxopiperidin-3-yl)-2-methyl-1-oxo-3H-inden-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 162570024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).