N-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide

C21H14F5N3O5 — CID 159757221

IUPACN-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cncc(F)c1C(=O)Nc1ccc(F)c(C(C)=O)n1
InChIInChI=1S/C21H14F5N3O5/c1-10(30)19-12(22)4-6-17(28-19)29-20(31)18-13(23)8-27-9-16(18)33-14-5-3-11(7-15(14)32-2)34-21(24,25)26/h3-9H,1-2H3,(H,28,29,31)
InChIKeyXCKXDHXIGYMVSG-UHFFFAOYSA-N
MW483.35 g/mol
LogP4.91
Rot. Bonds7

About N-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide

N-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide (PubChem CID 159757221) has the molecular formula C21H14F5N3O5 and a molecular weight of 483.35 g/mol. Its IUPAC name is N-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide
PubChem CID159757221
Molecular FormulaC21H14F5N3O5
Molecular Weight483.35 g/mol
Exact Mass483.09
IUPAC NameN-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cncc(F)c1C(=O)Nc1ccc(F)c(C(C)=O)n1
InChIInChI=1S/C21H14F5N3O5/c1-10(30)19-12(22)4-6-17(28-19)29-20(31)18-13(23)8-27-9-16(18)33-14-5-3-11(7-15(14)32-2)34-21(24,25)26/h3-9H,1-2H3,(H,28,29,31)
InChIKeyXCKXDHXIGYMVSG-UHFFFAOYSA-N
XLogP4.91
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.35
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide with MolForge

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Related Compounds

methyl 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxylate
CID 137406864
4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate
CID 161475679
N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide
CID 137406862
methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate
CID 154984490
N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide
CID 148707251
4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
CID 137418756
N-(2-acetyl-5-chloro-4-pyridinyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide;N-(2-acetyl-5-methyl-4-pyridinyl)-5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide;N-(2-acetyl-5-methyl-4-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide;N-(2-acetyl-4-pyridinyl)-4-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenoxy]benzamide
CID 162010751
4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406813
N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406615
methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 137406753
2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid
CID 154645121
CID 142516998
CID 142516998

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide?
The IUPAC name of N-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide (CID 159757221) is N-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide.
What is the SMILES notation for N-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide?
The canonical SMILES for N-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1cncc(F)c1C(=O)Nc1ccc(F)c(C(C)=O)n1.
What is the InChIKey of N-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide?
The InChIKey is XCKXDHXIGYMVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N3O5/c1-10(30)19-12(22)4-6-17(28-19)29-20(31)18-13(23)8-27-9-16(18)33-14-5-3-11(7-15(14)32-2)34-21(24,25)26/h3-9H,1-2H3,(H,28,29,31).
What are the key properties of N-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide?
N-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide has a molecular weight of 483.35 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-5-fluoro-2-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide is sourced from PubChem (CID 159757221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).