3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide

C22H18F3N3O5S — CID 56593347

IUPAC3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide
SMILESCCOc1ccccc1C(=O)Nc1cccnc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C22H18F3N3O5S/c1-2-33-18-11-4-3-9-16(18)20(29)28-17-10-6-12-26-19(17)21(30)27-14-7-5-8-15(13-14)34(31,32)22(23,24)25/h3-13H,2H2,1H3,(H,27,30)(H,28,29)
InChIKeyFRUFALLSBQQWOU-UHFFFAOYSA-N
MW493.46 g/mol
LogP4.28
Rot. Bonds7

About 3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide

3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide (PubChem CID 56593347) has the molecular formula C22H18F3N3O5S and a molecular weight of 493.46 g/mol. Its IUPAC name is 3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide
PubChem CID56593347
Molecular FormulaC22H18F3N3O5S
Molecular Weight493.46 g/mol
Exact Mass493.09
IUPAC Name3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide
SMILESCCOc1ccccc1C(=O)Nc1cccnc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C22H18F3N3O5S/c1-2-33-18-11-4-3-9-16(18)20(29)28-17-10-6-12-26-19(17)21(30)27-14-7-5-8-15(13-14)34(31,32)22(23,24)25/h3-13H,2H2,1H3,(H,27,30)(H,28,29)
InChIKeyFRUFALLSBQQWOU-UHFFFAOYSA-N
XLogP4.28
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide (CID 56593347) is 3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide is CCOc1ccccc1C(=O)Nc1cccnc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of 3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide?
The InChIKey is FRUFALLSBQQWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O5S/c1-2-33-18-11-4-3-9-16(18)20(29)28-17-10-6-12-26-19(17)21(30)27-14-7-5-8-15(13-14)34(31,32)22(23,24)25/h3-13H,2H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide?
3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide has a molecular weight of 493.46 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 56593347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).