N-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide

C26H19F3N2O4 — CID 166859370

IUPACN-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide
SMILESCc1ccc2c(NC(=O)c3c(Oc4cccc(C(F)(F)F)c4)cnc4c3OCCO4)cccc2c1
InChIInChI=1S/C26H19F3N2O4/c1-15-8-9-19-16(12-15)4-2-7-20(19)31-24(32)22-21(14-30-25-23(22)33-10-11-34-25)35-18-6-3-5-17(13-18)26(27,28)29/h2-9,12-14H,10-11H2,1H3,(H,31,32)
InChIKeyBCIOZLJQDYCBBF-UHFFFAOYSA-N
MW480.44 g/mol
LogP6.38
Rot. Bonds4

About N-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide

N-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide (PubChem CID 166859370) has the molecular formula C26H19F3N2O4 and a molecular weight of 480.44 g/mol. Its IUPAC name is N-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide
PubChem CID166859370
Molecular FormulaC26H19F3N2O4
Molecular Weight480.44 g/mol
Exact Mass480.13
IUPAC NameN-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide
SMILESCc1ccc2c(NC(=O)c3c(Oc4cccc(C(F)(F)F)c4)cnc4c3OCCO4)cccc2c1
InChIInChI=1S/C26H19F3N2O4/c1-15-8-9-19-16(12-15)4-2-7-20(19)31-24(32)22-21(14-30-25-23(22)33-10-11-34-25)35-18-6-3-5-17(13-18)26(27,28)29/h2-9,12-14H,10-11H2,1H3,(H,31,32)
InChIKeyBCIOZLJQDYCBBF-UHFFFAOYSA-N
XLogP6.38
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.44
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide
CID 162357785
methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate
CID 162357650
N-[(2R)-2-(2-chloro-4-methylphenyl)-2-fluoroethyl]-3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxamide
CID 162357631
N-[2-(2,4-dimethylphenyl)ethyl]-6-[3-(trifluoromethyl)phenoxy]-3,5-dihydro-2H-[1,4]dioxino[2,3-b]pyrrole-7-carboxamide
CID 166859356
N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 2542213
fluoro 6-[3-(trifluoromethyl)phenoxy]furo[3,2-b]pyridine-7-carboxylate
CID 162385403
4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 59813634
2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]-5-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxamide
CID 157036898
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide
CID 59813260
CID 142045984
CID 142045984
4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide
CID 155814719
N-(4-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 15614422

Frequently Asked Questions

What is the IUPAC name of N-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide?
The IUPAC name of N-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide (CID 166859370) is N-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide.
What is the SMILES notation for N-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide?
The canonical SMILES for N-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide is Cc1ccc2c(NC(=O)c3c(Oc4cccc(C(F)(F)F)c4)cnc4c3OCCO4)cccc2c1.
What is the InChIKey of N-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide?
The InChIKey is BCIOZLJQDYCBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N2O4/c1-15-8-9-19-16(12-15)4-2-7-20(19)31-24(32)22-21(14-30-25-23(22)33-10-11-34-25)35-18-6-3-5-17(13-18)26(27,28)29/h2-9,12-14H,10-11H2,1H3,(H,31,32).
What are the key properties of N-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide?
N-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide has a molecular weight of 480.44 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide is sourced from PubChem (CID 166859370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).