2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

C20H22F3N3O5S — CID 4880424

IUPAC2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C20H22F3N3O5S/c1-2-30-19-15(6-5-9-24-19)18(27)25-16-12-14(32(28,29)26-10-3-4-11-26)7-8-17(16)31-13-20(21,22)23/h5-9,12H,2-4,10-11,13H2,1H3,(H,25,27)
InChIKeyOWVYRIURZVMRKN-UHFFFAOYSA-N
MW473.47 g/mol
LogP3.46
Rot. Bonds8

About 2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 4880424) has the molecular formula C20H22F3N3O5S and a molecular weight of 473.47 g/mol. Its IUPAC name is 2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
PubChem CID4880424
Molecular FormulaC20H22F3N3O5S
Molecular Weight473.47 g/mol
Exact Mass473.12
IUPAC Name2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C20H22F3N3O5S/c1-2-30-19-15(6-5-9-24-19)18(27)25-16-12-14(32(28,29)26-10-3-4-11-26)7-8-17(16)31-13-20(21,22)23/h5-9,12H,2-4,10-11,13H2,1H3,(H,25,27)
InChIKeyOWVYRIURZVMRKN-UHFFFAOYSA-N
XLogP3.46
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 4800649
N-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037505
(E)-N-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 26682539
3-methyl-N-[5-piperidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 25498374
N-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-methylthiophene-2-carboxamide
CID 3305353
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 30748290
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
2,4-dichloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26265842
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691
N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide
CID 6492315

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (CID 4880424) is 2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F.
What is the InChIKey of 2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is OWVYRIURZVMRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O5S/c1-2-30-19-15(6-5-9-24-19)18(27)25-16-12-14(32(28,29)26-10-3-4-11-26)7-8-17(16)31-13-20(21,22)23/h5-9,12H,2-4,10-11,13H2,1H3,(H,25,27).
What are the key properties of 2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 473.47 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 4880424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).