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

C24H23F3N2O4S — CID 73296112

IUPAC1-ethyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C24H23F3N2O4S/c1-4-29-14-20(23(31)28-13-16-8-10-19(11-9-16)34(3,32)33)22(30)21(15(29)2)17-6-5-7-18(12-17)24(25,26)27/h5-12,14H,4,13H2,1-3H3,(H,28,31)
InChIKeyACPWSGXTGYUGNF-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.20
Rot. Bonds6

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

1-ethyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 73296112) has the molecular formula C24H23F3N2O4S and a molecular weight of 492.52 g/mol. Its IUPAC name is 1-ethyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID73296112
Molecular FormulaC24H23F3N2O4S
Molecular Weight492.52 g/mol
Exact Mass492.13
IUPAC Name1-ethyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C24H23F3N2O4S/c1-4-29-14-20(23(31)28-13-16-8-10-19(11-9-16)34(3,32)33)22(30)21(15(29)2)17-6-5-7-18(12-17)24(25,26)27/h5-12,14H,4,13H2,1-3H3,(H,28,31)
InChIKeyACPWSGXTGYUGNF-UHFFFAOYSA-N
XLogP4.20
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-ethyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 73296112) is 1-ethyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CCn1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of 1-ethyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ACPWSGXTGYUGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4S/c1-4-29-14-20(23(31)28-13-16-8-10-19(11-9-16)34(3,32)33)22(30)21(15(29)2)17-6-5-7-18(12-17)24(25,26)27/h5-12,14H,4,13H2,1-3H3,(H,28,31).
What are the key properties of 1-ethyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
1-ethyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 492.52 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 73296112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).