N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide

C18H17F3N2O3 — CID 43044788

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H17F3N2O3/c1-2-23(11-12-3-5-14-15(9-12)26-8-7-25-14)17(24)13-4-6-16(22-10-13)18(19,20)21/h3-6,9-10H,2,7-8,11H2,1H3
InChIKeySSFYQUNNRKCCBS-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.53
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 43044788) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID43044788
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H17F3N2O3/c1-2-23(11-12-3-5-14-15(9-12)26-8-7-25-14)17(24)13-4-6-16(22-10-13)18(19,20)21/h3-6,9-10H,2,7-8,11H2,1H3
InChIKeySSFYQUNNRKCCBS-UHFFFAOYSA-N
XLogP3.53
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylbenzamide
CID 8751999
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylbenzamide
CID 8752036
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78970661
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylthiophene-2-carboxamide
CID 30480240
N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 51190042
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43072127
4-chloro-N-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-3-oxopropyl]benzamide
CID 18160684
[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196483
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55438165
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 51084790

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 43044788) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide is CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SSFYQUNNRKCCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-2-23(11-12-3-5-14-15(9-12)26-8-7-25-14)17(24)13-4-6-16(22-10-13)18(19,20)21/h3-6,9-10H,2,7-8,11H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 43044788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).