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

C20H20F3N3O4 — CID 10477377

IUPAC2-(3-formamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC=O)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C20H20F3N3O4/c1-12(2)17(18(29)20(21,22)23)25-16(28)10-26-15(13-6-4-3-5-7-13)9-8-14(19(26)30)24-11-27/h3-9,11-12,17H,10H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyGSCUBJMYASAITB-UHFFFAOYSA-N
MW423.39 g/mol
LogP2.36
Rot. Bonds8

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

2-(3-formamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 10477377) has the molecular formula C20H20F3N3O4 and a molecular weight of 423.39 g/mol. Its IUPAC name is 2-(3-formamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-formamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID10477377
Molecular FormulaC20H20F3N3O4
Molecular Weight423.39 g/mol
Exact Mass423.14
IUPAC Name2-(3-formamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC=O)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C20H20F3N3O4/c1-12(2)17(18(29)20(21,22)23)25-16(28)10-26-15(13-6-4-3-5-7-13)9-8-14(19(26)30)24-11-27/h3-9,11-12,17H,10H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyGSCUBJMYASAITB-UHFFFAOYSA-N
XLogP2.36
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-formamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(3-formamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 10477377) is 2-(3-formamido-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-formamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(3-formamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC=O)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of 2-(3-formamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is GSCUBJMYASAITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O4/c1-12(2)17(18(29)20(21,22)23)25-16(28)10-26-15(13-6-4-3-5-7-13)9-8-14(19(26)30)24-11-27/h3-9,11-12,17H,10H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-(3-formamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-(3-formamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 423.39 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formamido-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 10477377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).