3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[(2-imino-1,3-oxazolidin-3-yl)methyl]-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzamide

C24H25F3N6O3 — CID 146455766

About 3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[(2-imino-1,3-oxazolidin-3-yl)methyl]-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzamide

3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[(2-imino-1,3-oxazolidin-3-yl)methyl]-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzamide (PubChem CID 146455766) has the molecular formula C24H25F3N6O3 and a molecular weight of 502.50 g/mol. Its IUPAC name is 3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[(2-imino-1,3-oxazolidin-3-yl)methyl]-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[(2-imino-1,3-oxazolidin-3-yl)methyl]-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzamide
• PubChem CID: 146455766
• Molecular Formula: C24H25F3N6O3
• Molecular Weight: 502.50 g/mol
• Exact Mass: 502.19
• IUPAC Name: 3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[(2-imino-1,3-oxazolidin-3-yl)methyl]-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzamide
• SMILES: [H]/N=C1\OCCN1Cc1cc(C(=O)NCc2ccc(=O)n(C)c2)cc(-c2cn(CC)nc2C(F)(F)F)c1
• InChI: InChI=1S/C24H25F3N6O3/c1-3-33-14-19(21(30-33)24(25,26)27)17-8-16(13-32-6-7-36-23(32)28)9-18(10-17)22(35)29-11-15-4-5-20(34)31(2)12-15/h4-5,8-10,12,14,28H,3,6-7,11,13H2,1-2H3,(H,29,35)/b28-23-
• InChIKey: NRLVHJIGDXLTNU-NFFVHWSESA-N
• XLogP: 2.98
• TPSA: 105.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.50
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[(2-imino-1,3-oxazolidin-3-yl)methyl]-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzamide?

The IUPAC name of 3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[(2-imino-1,3-oxazolidin-3-yl)methyl]-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzamide (CID 146455766) is 3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[(2-imino-1,3-oxazolidin-3-yl)methyl]-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzamide.

What is the SMILES notation for 3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[(2-imino-1,3-oxazolidin-3-yl)methyl]-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzamide?

The canonical SMILES for 3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[(2-imino-1,3-oxazolidin-3-yl)methyl]-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzamide is [H]/N=C1\OCCN1Cc1cc(C(=O)NCc2ccc(=O)n(C)c2)cc(-c2cn(CC)nc2C(F)(F)F)c1.

What is the InChIKey of 3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[(2-imino-1,3-oxazolidin-3-yl)methyl]-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzamide?

The InChIKey is NRLVHJIGDXLTNU-NFFVHWSESA-N. The full InChI is InChI=1S/C24H25F3N6O3/c1-3-33-14-19(21(30-33)24(25,26)27)17-8-16(13-32-6-7-36-23(32)28)9-18(10-17)22(35)29-11-15-4-5-20(34)31(2)12-15/h4-5,8-10,12,14,28H,3,6-7,11,13H2,1-2H3,(H,29,35)/b28-23-.

What are the key properties of 3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[(2-imino-1,3-oxazolidin-3-yl)methyl]-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzamide?

3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[(2-imino-1,3-oxazolidin-3-yl)methyl]-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzamide has a molecular weight of 502.50 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[(2-imino-1,3-oxazolidin-3-yl)methyl]-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 146455766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).