2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

C21H27N3O5S — CID 4963791

IUPAC2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccnc1OCC
InChIInChI=1S/C21H27N3O5S/c1-3-28-19-11-10-16(30(26,27)24-13-6-5-7-14-24)15-18(19)23-20(25)17-9-8-12-22-21(17)29-4-2/h8-12,15H,3-7,13-14H2,1-2H3,(H,23,25)
InChIKeyNAAFMENXLSKLRK-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.31
Rot. Bonds8

About 2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 4963791) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID4963791
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccnc1OCC
InChIInChI=1S/C21H27N3O5S/c1-3-28-19-11-10-16(30(26,27)24-13-6-5-7-14-24)15-18(19)23-20(25)17-9-8-12-22-21(17)29-4-2/h8-12,15H,3-7,13-14H2,1-2H3,(H,23,25)
InChIKeyNAAFMENXLSKLRK-UHFFFAOYSA-N
XLogP3.31
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (CID 4963791) is 2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccnc1OCC.
What is the InChIKey of 2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is NAAFMENXLSKLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-3-28-19-11-10-16(30(26,27)24-13-6-5-7-14-24)15-18(19)23-20(25)17-9-8-12-22-21(17)29-4-2/h8-12,15H,3-7,13-14H2,1-2H3,(H,23,25).
What are the key properties of 2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 4963791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).