N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide

C16H13F3N2O3 — CID 122158862

IUPACN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC1(C)Oc2ccc(NC(=O)c3ncccc3C(F)(F)F)cc2O1
InChIInChI=1S/C16H13F3N2O3/c1-15(2)23-11-6-5-9(8-12(11)24-15)21-14(22)13-10(16(17,18)19)4-3-7-20-13/h3-8H,1-2H3,(H,21,22)
InChIKeyZQIXROCXVXYTGO-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.86
Rot. Bonds2

About N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide

N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 122158862) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID122158862
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC1(C)Oc2ccc(NC(=O)c3ncccc3C(F)(F)F)cc2O1
InChIInChI=1S/C16H13F3N2O3/c1-15(2)23-11-6-5-9(8-12(11)24-15)21-14(22)13-10(16(17,18)19)4-3-7-20-13/h3-8H,1-2H3,(H,21,22)
InChIKeyZQIXROCXVXYTGO-UHFFFAOYSA-N
XLogP3.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 107517736
2-chloro-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)pyridine-4-carboxamide
CID 60776316
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 91407250
4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide
CID 1327317
N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide
CID 75288111
4-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992760
3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118113315
2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide
CID 26757505
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3,4,5-triethoxybenzamide
CID 55727633
2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
CID 43700348
3-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1,1-diethylurea
CID 47223959
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 99637145

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide (CID 122158862) is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide is CC1(C)Oc2ccc(NC(=O)c3ncccc3C(F)(F)F)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ZQIXROCXVXYTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-15(2)23-11-6-5-9(8-12(11)24-15)21-14(22)13-10(16(17,18)19)4-3-7-20-13/h3-8H,1-2H3,(H,21,22).
What are the key properties of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide?
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 338.29 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 122158862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).