6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide

C22H17F5N4O3 — CID 167512453

IUPAC6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cccc(F)c2OC)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H17F5N4O3/c1-28-20(32)12-8-17(19(29-10-12)30-16-5-3-4-15(24)18(16)34-2)31-21(33)11-6-13(22(25,26)27)9-14(23)7-11/h3-10H,1-2H3,(H,28,32)(H,29,30)(H,31,33)
InChIKeySUWAWUPUQRHWRB-UHFFFAOYSA-N
MW480.39 g/mol
LogP4.74
Rot. Bonds6

About 6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide

6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 167512453) has the molecular formula C22H17F5N4O3 and a molecular weight of 480.39 g/mol. Its IUPAC name is 6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide
PubChem CID167512453
Molecular FormulaC22H17F5N4O3
Molecular Weight480.39 g/mol
Exact Mass480.12
IUPAC Name6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cccc(F)c2OC)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H17F5N4O3/c1-28-20(32)12-8-17(19(29-10-12)30-16-5-3-4-15(24)18(16)34-2)31-21(33)11-6-13(22(25,26)27)9-14(23)7-11/h3-10H,1-2H3,(H,28,32)(H,29,30)(H,31,33)
InChIKeySUWAWUPUQRHWRB-UHFFFAOYSA-N
XLogP4.74
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.39
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-[(2-methyl-4-pyridinyl)amino]pyridine-3-carboxamide
CID 167512571
6-(2-cyanoethylamino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide
CID 167512030
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 167512259
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridine-3-carboxamide
CID 176510360
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide
CID 167512180
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide
CID 167512349
5-[(4-fluoro-3,5-dimethylbenzoyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512340
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 167512267
N-[(Z)-1,3-diaminoprop-2-enylidene]-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512132
3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 167512016
6-amino-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide;cyclohexylmethanol
CID 167512099
N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 176510121

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide (CID 167512453) is 6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cccc(F)c2OC)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide?
The InChIKey is SUWAWUPUQRHWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F5N4O3/c1-28-20(32)12-8-17(19(29-10-12)30-16-5-3-4-15(24)18(16)34-2)31-21(33)11-6-13(22(25,26)27)9-14(23)7-11/h3-10H,1-2H3,(H,28,32)(H,29,30)(H,31,33).
What are the key properties of 6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide?
6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 480.39 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 167512453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).