N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C15H11F3N2O4 — CID 17472215

IUPACN-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H11F3N2O4/c16-15(17,18)7-22-13-4-1-9(6-19-13)14(21)20-10-2-3-11-12(5-10)24-8-23-11/h1-6H,7-8H2,(H,20,21)
InChIKeyYSLVFKSYQJFRPZ-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.00
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 17472215) has the molecular formula C15H11F3N2O4 and a molecular weight of 340.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID17472215
Molecular FormulaC15H11F3N2O4
Molecular Weight340.26 g/mol
Exact Mass340.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H11F3N2O4/c16-15(17,18)7-22-13-4-1-9(6-19-13)14(21)20-10-2-3-11-12(5-10)24-8-23-11/h1-6H,7-8H2,(H,20,21)
InChIKeyYSLVFKSYQJFRPZ-UHFFFAOYSA-N
XLogP3.00
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 51324936
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 34968963
N-[3-(cyclopropylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 41405689
tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate
CID 166597114
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
CID 90056272
CID 90056272
N-[3-(thiophene-2-carbonylamino)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55515776
N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681883
N-[3-(propylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55705978
N-[3-(methanesulfonamido)-4-methoxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 24673292

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 17472215) is N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is YSLVFKSYQJFRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4/c16-15(17,18)7-22-13-4-1-9(6-19-13)14(21)20-10-2-3-11-12(5-10)24-8-23-11/h1-6H,7-8H2,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 340.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 17472215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).