2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide

C15H20F3N3O3 — CID 167824161

IUPAC2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)Nc1cc(C(F)(F)F)cn(C)c1=O
InChIInChI=1S/C15H20F3N3O3/c1-8(19-13(24)14(2,3)4)11(22)20-10-6-9(15(16,17)18)7-21(5)12(10)23/h6-8H,1-5H3,(H,19,24)(H,20,22)
InChIKeyBRFYQVBRMZYBMV-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.89
Rot. Bonds3

About 2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide

2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide (PubChem CID 167824161) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide
PubChem CID167824161
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)Nc1cc(C(F)(F)F)cn(C)c1=O
InChIInChI=1S/C15H20F3N3O3/c1-8(19-13(24)14(2,3)4)11(22)20-10-6-9(15(16,17)18)7-21(5)12(10)23/h6-8H,1-5H3,(H,19,24)(H,20,22)
InChIKeyBRFYQVBRMZYBMV-UHFFFAOYSA-N
XLogP1.89
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide (CID 167824161) is 2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide is CC(NC(=O)C(C)(C)C)C(=O)Nc1cc(C(F)(F)F)cn(C)c1=O.
What is the InChIKey of 2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide?
The InChIKey is BRFYQVBRMZYBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-8(19-13(24)14(2,3)4)11(22)20-10-6-9(15(16,17)18)7-21(5)12(10)23/h6-8H,1-5H3,(H,19,24)(H,20,22).
What are the key properties of 2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide?
2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide has a molecular weight of 347.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 167824161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).