N-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C12H15F3N2O3 — CID 7277695

IUPACN-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOC[C@H](C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H15F3N2O3/c1-8(7-20-2)16-10(18)6-17-5-9(12(13,14)15)3-4-11(17)19/h3-5,8H,6-7H2,1-2H3,(H,16,18)/t8-/m0/s1
InChIKeySCQDGRFAWXDYPY-QMMMGPOBSA-N
MW292.26 g/mol
LogP1.02
Rot. Bonds5

About N-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 7277695) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID7277695
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOC[C@H](C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H15F3N2O3/c1-8(7-20-2)16-10(18)6-17-5-9(12(13,14)15)3-4-11(17)19/h3-5,8H,6-7H2,1-2H3,(H,16,18)/t8-/m0/s1
InChIKeySCQDGRFAWXDYPY-QMMMGPOBSA-N
XLogP1.02
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 7277695) is N-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is COC[C@H](C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is SCQDGRFAWXDYPY-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-8(7-20-2)16-10(18)6-17-5-9(12(13,14)15)3-4-11(17)19/h3-5,8H,6-7H2,1-2H3,(H,16,18)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 292.26 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 7277695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).