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

C12H15F3N2O2 — CID 4826239

IUPACN-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCCCNC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H15F3N2O2/c1-2-3-6-16-10(18)8-17-7-9(12(13,14)15)4-5-11(17)19/h4-5,7H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyNCOPHXQCWBBGPR-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.78
Rot. Bonds5

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

N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 4826239) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID4826239
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCCCNC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H15F3N2O2/c1-2-3-6-16-10(18)8-17-7-9(12(13,14)15)4-5-11(17)19/h4-5,7H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyNCOPHXQCWBBGPR-UHFFFAOYSA-N
XLogP1.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide
CID 94177642
1-[2-(butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 54956643
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 47028663
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47035939
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111333062
N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 39613963
N-[(2R)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277697
4-[[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]methyl]-N-butylbenzamide
CID 78872433
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55723423
N-(3,5-dimethoxyphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2109103
N-(3-acetamidophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277669

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 4826239) is N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CCCCNC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is NCOPHXQCWBBGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-2-3-6-16-10(18)8-17-7-9(12(13,14)15)4-5-11(17)19/h4-5,7H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 4826239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).