N-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide

C24H19F5N2O5 — CID 159075559

IUPACN-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide
SMILES[2H]C([2H])([2H])Oc1c(Oc2ccc(C)c(F)c2C(=O)Nc2cc(C(C)=O)ncc2C)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C24H19F5N2O5/c1-11-5-6-16(35-18-8-7-17(36-24(27,28)29)21(26)22(18)34-4)19(20(11)25)23(33)31-14-9-15(13(3)32)30-10-12(14)2/h5-10H,1-4H3,(H,30,31,33)/i4D3
InChIKeyZZJHAXRKKLSIDG-GKOSEXJESA-N
MW513.43 g/mol
LogP6.13
Rot. Bonds8

About N-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide

N-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide (PubChem CID 159075559) has the molecular formula C24H19F5N2O5 and a molecular weight of 513.43 g/mol. Its IUPAC name is N-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide
PubChem CID159075559
Molecular FormulaC24H19F5N2O5
Molecular Weight513.43 g/mol
Exact Mass513.14
IUPAC NameN-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide
SMILES[2H]C([2H])([2H])Oc1c(Oc2ccc(C)c(F)c2C(=O)Nc2cc(C(C)=O)ncc2C)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C24H19F5N2O5/c1-11-5-6-16(35-18-8-7-17(36-24(27,28)29)21(26)22(18)34-4)19(20(11)25)23(33)31-14-9-15(13(3)32)30-10-12(14)2/h5-10H,1-4H3,(H,30,31,33)/i4D3
InChIKeyZZJHAXRKKLSIDG-GKOSEXJESA-N
XLogP6.13
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.43
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-2-methoxy-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406748
N-(2-bromo-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethoxy)benzamide
CID 170201834
4-[[6-[3-fluoro-4-(trifluoromethoxy)-2-(trihydroxymethoxy)phenoxy]-2-methoxy-3-(trifluoromethyl)benzoyl]amino]-N,5-dimethylpyridine-2-carboxamide
CID 142516859
2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethoxy)benzoic acid
CID 137406800
4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406338
4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406601
N-(2-acetyl-5-methyl-4-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide;N-(2-acetyl-5-methyl-4-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide;N-(2-acetyl-5-methyl-4-pyridinyl)-2-methoxy-3-methyl-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzamide;N-(2-acetyl-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)-4-(trifluoromethoxy)benzamide;N-(2-acetyl-4-pyridinyl)-4-methyl-2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzamide
CID 158870365
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
methyl 5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-6-methylpyridine-2-carboxylate
CID 137406473
4-[[2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;methyl 4-[[2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
CID 157110292
N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate
CID 159746635
4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645316

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide?
The IUPAC name of N-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide (CID 159075559) is N-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide.
What is the SMILES notation for N-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide?
The canonical SMILES for N-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide is [2H]C([2H])([2H])Oc1c(Oc2ccc(C)c(F)c2C(=O)Nc2cc(C(C)=O)ncc2C)ccc(OC(F)(F)F)c1F.
What is the InChIKey of N-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide?
The InChIKey is ZZJHAXRKKLSIDG-GKOSEXJESA-N. The full InChI is InChI=1S/C24H19F5N2O5/c1-11-5-6-16(35-18-8-7-17(36-24(27,28)29)21(26)22(18)34-4)19(20(11)25)23(33)31-14-9-15(13(3)32)30-10-12(14)2/h5-10H,1-4H3,(H,30,31,33)/i4D3.
What are the key properties of N-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide?
N-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide has a molecular weight of 513.43 g/mol, XLogP of 6.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-methylbenzamide is sourced from PubChem (CID 159075559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).