N-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide

C13H15F3N2O3 — CID 154786165

IUPACN-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESCC1(C)OCCC1NC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C13H15F3N2O3/c1-12(2)9(5-6-21-12)18-11(20)8-4-3-7(10(19)17-8)13(14,15)16/h3-4,9H,5-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOJIPBZUCJMXKOH-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.69
Rot. Bonds2

About N-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide

N-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (PubChem CID 154786165) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
PubChem CID154786165
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESCC1(C)OCCC1NC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C13H15F3N2O3/c1-12(2)9(5-6-21-12)18-11(20)8-4-3-7(10(19)17-8)13(14,15)16/h3-4,9H,5-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOJIPBZUCJMXKOH-UHFFFAOYSA-N
XLogP1.69
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The IUPAC name of N-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (CID 154786165) is N-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is CC1(C)OCCC1NC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of N-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The InChIKey is OJIPBZUCJMXKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-12(2)9(5-6-21-12)18-11(20)8-4-3-7(10(19)17-8)13(14,15)16/h3-4,9H,5-6H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
N-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxolan-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 154786165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).