6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C24H20F5N3O3 — CID 126712802

IUPAC6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1OCC1CCOCC1)c1ccc(C(F)(F)F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C24H20F5N3O3/c25-16-2-1-3-17(26)21(16)22-15(24(27,28)29)4-5-18(31-22)23(33)32-19-12-30-9-6-20(19)35-13-14-7-10-34-11-8-14/h1-6,9,12,14H,7-8,10-11,13H2,(H,32,33)
InChIKeyXVFNCEKXKBYEFR-UHFFFAOYSA-N
MW493.43 g/mol
LogP5.50
Rot. Bonds6

About 6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide

6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 126712802) has the molecular formula C24H20F5N3O3 and a molecular weight of 493.43 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID126712802
Molecular FormulaC24H20F5N3O3
Molecular Weight493.43 g/mol
Exact Mass493.14
IUPAC Name6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1OCC1CCOCC1)c1ccc(C(F)(F)F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C24H20F5N3O3/c25-16-2-1-3-17(26)21(16)22-15(24(27,28)29)4-5-18(31-22)23(33)32-19-12-30-9-6-20(19)35-13-14-7-10-34-11-8-14/h1-6,9,12,14H,7-8,10-11,13H2,(H,32,33)
InChIKeyXVFNCEKXKBYEFR-UHFFFAOYSA-N
XLogP5.50
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.43
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 126744496
N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126712847
6-(2,6-difluorophenyl)-5-fluoro-N-[4-(4-hydroxybutoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 118413553
N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126744011
6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 160527441
N-[4-[(3R,5S)-3,5-diaminocyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179581
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 70909330
6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 71262676
3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126717740
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 56600339
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 123679610
6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 59226554

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 126712802) is 6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cnccc1OCC1CCOCC1)c1ccc(C(F)(F)F)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XVFNCEKXKBYEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F5N3O3/c25-16-2-1-3-17(26)21(16)22-15(24(27,28)29)4-5-18(31-22)23(33)32-19-12-30-9-6-20(19)35-13-14-7-10-34-11-8-14/h1-6,9,12,14H,7-8,10-11,13H2,(H,32,33).
What are the key properties of 6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 493.43 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 126712802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).