2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

C13H16F3N3O3 — CID 67821216

IUPAC2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cc1cc[nH]c(=O)c1N)C(=O)C(F)(F)F
InChIInChI=1S/C13H16F3N3O3/c1-6(2)10(11(21)13(14,15)16)19-8(20)5-7-3-4-18-12(22)9(7)17/h3-4,6,10H,5,17H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyOXKAFVLRRDDWAN-UHFFFAOYSA-N
MW319.28 g/mol
LogP0.77
Rot. Bonds5

About 2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 67821216) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID67821216
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cc1cc[nH]c(=O)c1N)C(=O)C(F)(F)F
InChIInChI=1S/C13H16F3N3O3/c1-6(2)10(11(21)13(14,15)16)19-8(20)5-7-3-4-18-12(22)9(7)17/h3-4,6,10H,5,17H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyOXKAFVLRRDDWAN-UHFFFAOYSA-N
XLogP0.77
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 67821216) is 2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(C)C(NC(=O)Cc1cc[nH]c(=O)c1N)C(=O)C(F)(F)F.
What is the InChIKey of 2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is OXKAFVLRRDDWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-6(2)10(11(21)13(14,15)16)19-8(20)5-7-3-4-18-12(22)9(7)17/h3-4,6,10H,5,17H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 319.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 67821216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).