5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

C21H23F3N4O3 — CID 86890270

IUPAC5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCCN(Cc1cccc(NC(=O)c2ccc(C(=O)N(C)C)nc2C)c1)C(=O)C(F)(F)F
InChIInChI=1S/C21H23F3N4O3/c1-5-28(20(31)21(22,23)24)12-14-7-6-8-15(11-14)26-18(29)16-9-10-17(25-13(16)2)19(30)27(3)4/h6-11H,5,12H2,1-4H3,(H,26,29)
InChIKeyJYUPJIAXBQKZRY-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.25
Rot. Bonds6

About 5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (PubChem CID 86890270) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is 5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
PubChem CID86890270
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCCN(Cc1cccc(NC(=O)c2ccc(C(=O)N(C)C)nc2C)c1)C(=O)C(F)(F)F
InChIInChI=1S/C21H23F3N4O3/c1-5-28(20(31)21(22,23)24)12-14-7-6-8-15(11-14)26-18(29)16-9-10-17(25-13(16)2)19(30)27(3)4/h6-11H,5,12H2,1-4H3,(H,26,29)
InChIKeyJYUPJIAXBQKZRY-UHFFFAOYSA-N
XLogP3.25
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide with MolForge

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Related Compounds

N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51121198
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-fluoro-4-methoxybenzamide
CID 55671374
5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86890345
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-nitrobenzamide
CID 43068636
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43072127
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide
CID 43068696
N-ethyl-2,2,2-trifluoro-N-[[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]methyl]acetamide
CID 55674010
5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86892702
(2S)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-methylsulfanylpropanamide
CID 94809125
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-5-nitrothiophene-3-carboxamide
CID 47047150
N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride
CID 119732650
5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55671766

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (CID 86890270) is 5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is CCN(Cc1cccc(NC(=O)c2ccc(C(=O)N(C)C)nc2C)c1)C(=O)C(F)(F)F.
What is the InChIKey of 5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The InChIKey is JYUPJIAXBQKZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-5-28(20(31)21(22,23)24)12-14-7-6-8-15(11-14)26-18(29)16-9-10-17(25-13(16)2)19(30)27(3)4/h6-11H,5,12H2,1-4H3,(H,26,29).
What are the key properties of 5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide has a molecular weight of 436.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 86890270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).