2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

C24H19F3N4O3 — CID 68819781

IUPAC2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1cccnc1N1C(=O)CCC1=O
InChIInChI=1S/C24H19F3N4O3/c25-24(26,27)16-6-3-7-17(13-16)30-23(34)18-8-1-2-9-19(18)29-14-15-5-4-12-28-22(15)31-20(32)10-11-21(31)33/h1-9,12-13,29H,10-11,14H2,(H,30,34)
InChIKeyAWNPVZDAFLSKAA-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.62
Rot. Bonds6

About 2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 68819781) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is 2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID68819781
Molecular FormulaC24H19F3N4O3
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC Name2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1cccnc1N1C(=O)CCC1=O
InChIInChI=1S/C24H19F3N4O3/c25-24(26,27)16-6-3-7-17(13-16)30-23(34)18-8-1-2-9-19(18)29-14-15-5-4-12-28-22(15)31-20(32)10-11-21(31)33/h1-9,12-13,29H,10-11,14H2,(H,30,34)
InChIKeyAWNPVZDAFLSKAA-UHFFFAOYSA-N
XLogP4.62
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.62
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

2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632330
2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 71694646
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 119752461
2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 60589058
6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157711
1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 26844238
2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 67052446
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
CID 56593317
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 56558972

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 68819781) is 2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1cccnc1N1C(=O)CCC1=O.
What is the InChIKey of 2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is AWNPVZDAFLSKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c25-24(26,27)16-6-3-7-17(13-16)30-23(34)18-8-1-2-9-19(18)29-14-15-5-4-12-28-22(15)31-20(32)10-11-21(31)33/h1-9,12-13,29H,10-11,14H2,(H,30,34).
What are the key properties of 2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 468.44 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 68819781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).