N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C11H13F3N2O3 — CID 62333492

IUPACN-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(O)CN(C)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H13F3N2O3/c1-6(17)5-16(2)10(19)7-3-4-8(11(12,13)14)15-9(7)18/h3-4,6,17H,5H2,1-2H3,(H,15,18)
InChIKeyXOFRXUJFAHLLPL-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.85
Rot. Bonds3

About N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 62333492) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID62333492
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC NameN-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(O)CN(C)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H13F3N2O3/c1-6(17)5-16(2)10(19)7-3-4-8(11(12,13)14)15-9(7)18/h3-4,6,17H,5H2,1-2H3,(H,15,18)
InChIKeyXOFRXUJFAHLLPL-UHFFFAOYSA-N
XLogP0.85
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 62333492) is N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(O)CN(C)C(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is XOFRXUJFAHLLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-6(17)5-16(2)10(19)7-3-4-8(11(12,13)14)15-9(7)18/h3-4,6,17H,5H2,1-2H3,(H,15,18).
What are the key properties of N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 62333492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).