N-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C12H13F3N2O3 — CID 115775741

IUPACN-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=CCN(CCO)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H13F3N2O3/c1-2-5-17(6-7-18)11(20)8-3-4-9(12(13,14)15)16-10(8)19/h2-4,18H,1,5-7H2,(H,16,19)
InChIKeyYQJZDXZYTGGTNF-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.01
Rot. Bonds5

About N-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 115775741) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID115775741
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC NameN-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=CCN(CCO)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H13F3N2O3/c1-2-5-17(6-7-18)11(20)8-3-4-9(12(13,14)15)16-10(8)19/h2-4,18H,1,5-7H2,(H,16,19)
InChIKeyYQJZDXZYTGGTNF-UHFFFAOYSA-N
XLogP1.01
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide
CID 164643183
1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide
CID 154942472
1-(2-Methylprop-2-enyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 25965696
2-Oxo-1-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 25965900
N-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43394531
N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43417634
N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43417949
N-(2-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43418289
N-(1-hydroxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43419121
N-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43573525
N-cyclopropyl-N-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43577116
2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 47017382

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 115775741) is N-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is C=CCN(CCO)C(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is YQJZDXZYTGGTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-2-5-17(6-7-18)11(20)8-3-4-9(12(13,14)15)16-10(8)19/h2-4,18H,1,5-7H2,(H,16,19).
What are the key properties of N-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 290.24 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 115775741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).