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

C19H20F3N3O3 — CID 10250073

IUPAC2-(3-amino-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(N)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C19H20F3N3O3/c1-11(2)16(17(27)19(20,21)22)24-15(26)10-25-14(9-8-13(23)18(25)28)12-6-4-3-5-7-12/h3-9,11,16H,10,23H2,1-2H3,(H,24,26)
InChIKeyDKUKYMJFBPYFSS-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.37
Rot. Bonds6

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

2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 10250073) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID10250073
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name2-(3-amino-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(N)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C19H20F3N3O3/c1-11(2)16(17(27)19(20,21)22)24-15(26)10-25-14(9-8-13(23)18(25)28)12-6-4-3-5-7-12/h3-9,11,16H,10,23H2,1-2H3,(H,24,26)
InChIKeyDKUKYMJFBPYFSS-UHFFFAOYSA-N
XLogP2.37
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 10250073) is 2-(3-amino-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-amino-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(3-amino-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(N)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of 2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is DKUKYMJFBPYFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-11(2)16(17(27)19(20,21)22)24-15(26)10-25-14(9-8-13(23)18(25)28)12-6-4-3-5-7-12/h3-9,11,16H,10,23H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 395.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 10250073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).