2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide

C14H20F3N3O2 — CID 135186733

IUPAC2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide
SMILESCCC(CC)CNC(=O)Cn1cc(C(F)(F)F)cc(N)c1=O
InChIInChI=1S/C14H20F3N3O2/c1-3-9(4-2)6-19-12(21)8-20-7-10(14(15,16)17)5-11(18)13(20)22/h5,7,9H,3-4,6,8,18H2,1-2H3,(H,19,21)
InChIKeyGVFQRISZDHEUQI-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.00
Rot. Bonds6

About 2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide

2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide (PubChem CID 135186733) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide.

Molecular Properties

Compound Name2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide
PubChem CID135186733
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide
SMILESCCC(CC)CNC(=O)Cn1cc(C(F)(F)F)cc(N)c1=O
InChIInChI=1S/C14H20F3N3O2/c1-3-9(4-2)6-19-12(21)8-20-7-10(14(15,16)17)5-11(18)13(20)22/h5,7,9H,3-4,6,8,18H2,1-2H3,(H,19,21)
InChIKeyGVFQRISZDHEUQI-UHFFFAOYSA-N
XLogP2.00
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-3-yl)acetamide
CID 47137243
1-butyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 2121670
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide
CID 59268968
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide
CID 7633456
2-[acetyl(methyl)amino]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 47249058
1-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 53506463
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72046372
N-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2079895
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutyl)acetamide
CID 8894328
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-3-ylacetamide
CID 16377604
N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
CID 53550143

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide?
The IUPAC name of 2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide (CID 135186733) is 2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide.
What is the SMILES notation for 2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide?
The canonical SMILES for 2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide is CCC(CC)CNC(=O)Cn1cc(C(F)(F)F)cc(N)c1=O.
What is the InChIKey of 2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide?
The InChIKey is GVFQRISZDHEUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-3-9(4-2)6-19-12(21)8-20-7-10(14(15,16)17)5-11(18)13(20)22/h5,7,9H,3-4,6,8,18H2,1-2H3,(H,19,21).
What are the key properties of 2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide?
2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide has a molecular weight of 319.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-ethylbutyl)acetamide is sourced from PubChem (CID 135186733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).