N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide

C26H24F3N5O5 — CID 54263297

About N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide

N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide (PubChem CID 54263297) has the molecular formula C26H24F3N5O5 and a molecular weight of 543.50 g/mol. Its IUPAC name is N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide
• PubChem CID: 54263297
• Molecular Formula: C26H24F3N5O5
• Molecular Weight: 543.50 g/mol
• Exact Mass: 543.17
• IUPAC Name: N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide
• SMILES: CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NC(=O)c2ccncc2)c1=O)C(=O)C(F)(F)F
• InChI: InChI=1S/C26H24F3N5O5/c1-15(2)21(22(36)26(27,28)29)32-20(35)14-34-19(16-6-4-3-5-7-16)9-8-18(24(34)38)31-25(39)33-23(37)17-10-12-30-13-11-17/h3-13,15,21H,14H2,1-2H3,(H,32,35)(H2,31,33,37,39)
• InChIKey: REZVJZIJUPTVQX-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 139.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.50
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide?

The IUPAC name of N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide (CID 54263297) is N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide?

The canonical SMILES for N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NC(=O)c2ccncc2)c1=O)C(=O)C(F)(F)F.

What is the InChIKey of N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide?

The InChIKey is REZVJZIJUPTVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O5/c1-15(2)21(22(36)26(27,28)29)32-20(35)14-34-19(16-6-4-3-5-7-16)9-8-18(24(34)38)31-25(39)33-23(37)17-10-12-30-13-11-17/h3-13,15,21H,14H2,1-2H3,(H,32,35)(H2,31,33,37,39).

What are the key properties of N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide?

N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide has a molecular weight of 543.50 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide is sourced from PubChem (CID 54263297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).