N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C16H13F3N2O3 — CID 2811293

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H13F3N2O3/c1-9-11(3-5-14(21-9)16(17,18)19)15(22)20-7-10-2-4-12-13(6-10)24-8-23-12/h2-6H,7-8H2,1H3,(H,20,22)
InChIKeyNZPSGNGJNBMLLG-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.07
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2811293) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2811293
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H13F3N2O3/c1-9-11(3-5-14(21-9)16(17,18)19)15(22)20-7-10-2-4-12-13(6-10)24-8-23-12/h2-6H,7-8H2,1H3,(H,20,22)
InChIKeyNZPSGNGJNBMLLG-UHFFFAOYSA-N
XLogP3.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 2811293) is N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NZPSGNGJNBMLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-9-11(3-5-14(21-9)16(17,18)19)15(22)20-7-10-2-4-12-13(6-10)24-8-23-12/h2-6H,7-8H2,1H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 338.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2811293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).