2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

C21H22F3N3O4 — CID 10071747

IUPAC2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O
InChIInChI=1S/C21H22F3N3O4/c1-12(2)18(19(30)21(22,23)24)26-17(29)11-27-16(14-7-5-4-6-8-14)10-9-15(20(27)31)25-13(3)28/h4-10,12,18H,11H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyQPCWIYWAIOFNGK-UHFFFAOYSA-N
MW437.42 g/mol
LogP2.75
Rot. Bonds7

About 2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 10071747) has the molecular formula C21H22F3N3O4 and a molecular weight of 437.42 g/mol. Its IUPAC name is 2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID10071747
Molecular FormulaC21H22F3N3O4
Molecular Weight437.42 g/mol
Exact Mass437.16
IUPAC Name2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O
InChIInChI=1S/C21H22F3N3O4/c1-12(2)18(19(30)21(22,23)24)26-17(29)11-27-16(14-7-5-4-6-8-14)10-9-15(20(27)31)25-13(3)28/h4-10,12,18H,11H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyQPCWIYWAIOFNGK-UHFFFAOYSA-N
XLogP2.75
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 10071747) is 2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O.
What is the InChIKey of 2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is QPCWIYWAIOFNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O4/c1-12(2)18(19(30)21(22,23)24)26-17(29)11-27-16(14-7-5-4-6-8-14)10-9-15(20(27)31)25-13(3)28/h4-10,12,18H,11H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 437.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 10071747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).