N-[[3-(cyanomethyl)-1,2-oxazol-5-yl]methyl]-5-(3-cyclopropyl-1,2-oxazol-5-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C26H20F3N5O4 — CID 11852977

About N-[[3-(cyanomethyl)-1,2-oxazol-5-yl]methyl]-5-(3-cyclopropyl-1,2-oxazol-5-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-[[3-(cyanomethyl)-1,2-oxazol-5-yl]methyl]-5-(3-cyclopropyl-1,2-oxazol-5-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11852977) has the molecular formula C26H20F3N5O4 and a molecular weight of 523.47 g/mol. Its IUPAC name is N-[[3-(cyanomethyl)-1,2-oxazol-5-yl]methyl]-5-(3-cyclopropyl-1,2-oxazol-5-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[3-(cyanomethyl)-1,2-oxazol-5-yl]methyl]-5-(3-cyclopropyl-1,2-oxazol-5-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 11852977
• Molecular Formula: C26H20F3N5O4
• Molecular Weight: 523.47 g/mol
• Exact Mass: 523.15
• IUPAC Name: N-[[3-(cyanomethyl)-1,2-oxazol-5-yl]methyl]-5-(3-cyclopropyl-1,2-oxazol-5-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: Cc1c(-c2cc(C3CC3)no2)cc(C(=O)NCc2cc(CC#N)no2)c(=O)n1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C26H20F3N5O4/c1-14-20(23-12-22(33-38-23)15-5-6-15)11-21(24(35)31-13-19-10-17(7-8-30)32-37-19)25(36)34(14)18-4-2-3-16(9-18)26(27,28)29/h2-4,9-12,15H,5-7,13H2,1H3,(H,31,35)
• InChIKey: UMPXHQXCWSFHNU-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 126.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.47
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyanomethyl)-1,2-oxazol-5-yl]methyl]-5-(3-cyclopropyl-1,2-oxazol-5-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[[3-(cyanomethyl)-1,2-oxazol-5-yl]methyl]-5-(3-cyclopropyl-1,2-oxazol-5-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11852977) is N-[[3-(cyanomethyl)-1,2-oxazol-5-yl]methyl]-5-(3-cyclopropyl-1,2-oxazol-5-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[[3-(cyanomethyl)-1,2-oxazol-5-yl]methyl]-5-(3-cyclopropyl-1,2-oxazol-5-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[[3-(cyanomethyl)-1,2-oxazol-5-yl]methyl]-5-(3-cyclopropyl-1,2-oxazol-5-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(-c2cc(C3CC3)no2)cc(C(=O)NCc2cc(CC#N)no2)c(=O)n1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[[3-(cyanomethyl)-1,2-oxazol-5-yl]methyl]-5-(3-cyclopropyl-1,2-oxazol-5-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The InChIKey is UMPXHQXCWSFHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O4/c1-14-20(23-12-22(33-38-23)15-5-6-15)11-21(24(35)31-13-19-10-17(7-8-30)32-37-19)25(36)34(14)18-4-2-3-16(9-18)26(27,28)29/h2-4,9-12,15H,5-7,13H2,1H3,(H,31,35).

What are the key properties of N-[[3-(cyanomethyl)-1,2-oxazol-5-yl]methyl]-5-(3-cyclopropyl-1,2-oxazol-5-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

N-[[3-(cyanomethyl)-1,2-oxazol-5-yl]methyl]-5-(3-cyclopropyl-1,2-oxazol-5-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 523.47 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(cyanomethyl)-1,2-oxazol-5-yl]methyl]-5-(3-cyclopropyl-1,2-oxazol-5-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11852977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).