N-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C11H13F3N2O3 — CID 51075642

IUPACN-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOCC(C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H13F3N2O3/c1-6(5-19-2)15-9(17)7-3-4-8(11(12,13)14)16-10(7)18/h3-4,6H,5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyCDHYXSXBGDINCK-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.16
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 51075642) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID51075642
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC NameN-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOCC(C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H13F3N2O3/c1-6(5-19-2)15-9(17)7-3-4-8(11(12,13)14)16-10(7)18/h3-4,6H,5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyCDHYXSXBGDINCK-UHFFFAOYSA-N
XLogP1.16
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47060470
2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide
CID 47456165
6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide
CID 164643183
6-[Chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828236
N-Cyclobutyl-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828237
6-(Difluoromethyl)-N-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828239
5-Bromo-6-(difluoromethyl)-N-(2-methoxy-methylethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828246
N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60708591
5-bromo-6-(difluoromethyl)-N-(3-methoxypropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 68380269
5-bromo-6-(difluoromethyl)-N-(2-methoxypropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 68380270
N,1-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 68491556
6-[Chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide
CID 142783024

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 51075642) is N-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is COCC(C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CDHYXSXBGDINCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-6(5-19-2)15-9(17)7-3-4-8(11(12,13)14)16-10(7)18/h3-4,6H,5H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 51075642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).