N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C13H16F3N3O3 — CID 2122848

IUPACN-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H16F3N3O3/c1-12(2,3)18-11(22)17-9(20)7-19-6-8(13(14,15)16)4-5-10(19)21/h4-6H,7H2,1-3H3,(H2,17,18,20,22)
InChIKeyFJBUPVAQVNTGGH-UHFFFAOYSA-N
MW319.28 g/mol
LogP1.49
Rot. Bonds2

About N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2122848) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2122848
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC NameN-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H16F3N3O3/c1-12(2,3)18-11(22)17-9(20)7-19-6-8(13(14,15)16)4-5-10(19)21/h4-6H,7H2,1-3H3,(H2,17,18,20,22)
InChIKeyFJBUPVAQVNTGGH-UHFFFAOYSA-N
XLogP1.49
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2122848) is N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)(C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is FJBUPVAQVNTGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-12(2,3)18-11(22)17-9(20)7-19-6-8(13(14,15)16)4-5-10(19)21/h4-6H,7H2,1-3H3,(H2,17,18,20,22).
What are the key properties of N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 319.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2122848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).