2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride

C9H11ClF3N3O2 — CID 119399130

IUPAC2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.Cl
InChIInChI=1S/C9H10F3N3O2.ClH/c1-13-4-7(16)15-6-2-5(9(10,11)12)3-14-8(6)17;/h2-3,13H,4H2,1H3,(H,14,17)(H,15,16);1H
InChIKeyLMUMBXBRRNEQCQ-UHFFFAOYSA-N
MW285.65 g/mol
LogP0.97
Rot. Bonds3

About 2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride

2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride (PubChem CID 119399130) has the molecular formula C9H11ClF3N3O2 and a molecular weight of 285.65 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride
PubChem CID119399130
Molecular FormulaC9H11ClF3N3O2
Molecular Weight285.65 g/mol
Exact Mass285.05
IUPAC Name2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.Cl
InChIInChI=1S/C9H10F3N3O2.ClH/c1-13-4-7(16)15-6-2-5(9(10,11)12)3-14-8(6)17;/h2-3,13H,4H2,1H3,(H,14,17)(H,15,16);1H
InChIKeyLMUMBXBRRNEQCQ-UHFFFAOYSA-N
XLogP0.97
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride (CID 119399130) is 2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride is CNCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.Cl.
What is the InChIKey of 2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride?
The InChIKey is LMUMBXBRRNEQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2.ClH/c1-13-4-7(16)15-6-2-5(9(10,11)12)3-14-8(6)17;/h2-3,13H,4H2,1H3,(H,14,17)(H,15,16);1H.
What are the key properties of 2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride?
2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride has a molecular weight of 285.65 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 119399130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).