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

C19H23N3O4S — CID 4827305

IUPAC2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H23N3O4S/c1-2-26-19-17(10-7-11-20-19)18(23)21-15-8-6-9-16(14-15)27(24,25)22-12-4-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,21,23)
InChIKeyWJAGSPDXRHOKJO-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.91
Rot. Bonds6

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

2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 4827305) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID4827305
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H23N3O4S/c1-2-26-19-17(10-7-11-20-19)18(23)21-15-8-6-9-16(14-15)27(24,25)22-12-4-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,21,23)
InChIKeyWJAGSPDXRHOKJO-UHFFFAOYSA-N
XLogP2.91
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (CID 4827305) is 2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is WJAGSPDXRHOKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-2-26-19-17(10-7-11-20-19)18(23)21-15-8-6-9-16(14-15)27(24,25)22-12-4-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,21,23).
What are the key properties of 2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 4827305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).