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

C13H16F3N3O3 — CID 2641538

IUPACN-(2-methylpropylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)CNC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H16F3N3O3/c1-8(2)5-17-12(22)18-10(20)7-19-6-9(13(14,15)16)3-4-11(19)21/h3-4,6,8H,5,7H2,1-2H3,(H2,17,18,20,22)
InChIKeyKSSYQJSWARPBFU-UHFFFAOYSA-N
MW319.28 g/mol
LogP1.35
Rot. Bonds4

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

N-(2-methylpropylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2641538) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is N-(2-methylpropylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2641538
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC NameN-(2-methylpropylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)CNC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H16F3N3O3/c1-8(2)5-17-12(22)18-10(20)7-19-6-9(13(14,15)16)3-4-11(19)21/h3-4,6,8H,5,7H2,1-2H3,(H2,17,18,20,22)
InChIKeyKSSYQJSWARPBFU-UHFFFAOYSA-N
XLogP1.35
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2-methylpropylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2641538) is N-(2-methylpropylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-methylpropylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-methylpropylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)CNC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-(2-methylpropylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is KSSYQJSWARPBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-8(2)5-17-12(22)18-10(20)7-19-6-9(13(14,15)16)3-4-11(19)21/h3-4,6,8H,5,7H2,1-2H3,(H2,17,18,20,22).
What are the key properties of N-(2-methylpropylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(2-methylpropylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 319.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2641538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).