5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C25H25F3N2O5S — CID 68880601

IUPAC5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOC(C)c1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C25H25F3N2O5S/c1-15-21(16(2)35-3)13-22(23(31)29-14-17-8-10-20(11-9-17)36(4,33)34)24(32)30(15)19-7-5-6-18(12-19)25(26,27)28/h5-13,16H,14H2,1-4H3,(H,29,31)
InChIKeyHMCGALOBBMVLAS-UHFFFAOYSA-N
MW522.55 g/mol
LogP4.21
Rot. Bonds7

About 5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 68880601) has the molecular formula C25H25F3N2O5S and a molecular weight of 522.55 g/mol. Its IUPAC name is 5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID68880601
Molecular FormulaC25H25F3N2O5S
Molecular Weight522.55 g/mol
Exact Mass522.14
IUPAC Name5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOC(C)c1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C25H25F3N2O5S/c1-15-21(16(2)35-3)13-22(23(31)29-14-17-8-10-20(11-9-17)36(4,33)34)24(32)30(15)19-7-5-6-18(12-19)25(26,27)28/h5-13,16H,14H2,1-4H3,(H,29,31)
InChIKeyHMCGALOBBMVLAS-UHFFFAOYSA-N
XLogP4.21
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.55
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 68880601) is 5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is COC(C)c1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of 5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is HMCGALOBBMVLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O5S/c1-15-21(16(2)35-3)13-22(23(31)29-14-17-8-10-20(11-9-17)36(4,33)34)24(32)30(15)19-7-5-6-18(12-19)25(26,27)28/h5-13,16H,14H2,1-4H3,(H,29,31).
What are the key properties of 5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 522.55 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 68880601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).