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

C20H25N3O4S — CID 7951679

IUPAC2-ethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C20H25N3O4S/c1-3-27-20-17(8-7-11-21-20)19(24)22-18-14-16(10-9-15(18)2)28(25,26)23-12-5-4-6-13-23/h7-11,14H,3-6,12-13H2,1-2H3,(H,22,24)
InChIKeyCXSQWXTYDZEIIW-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.22
Rot. Bonds6

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

2-ethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 7951679) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-ethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID7951679
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-ethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C20H25N3O4S/c1-3-27-20-17(8-7-11-21-20)19(24)22-18-14-16(10-9-15(18)2)28(25,26)23-12-5-4-6-13-23/h7-11,14H,3-6,12-13H2,1-2H3,(H,22,24)
InChIKeyCXSQWXTYDZEIIW-UHFFFAOYSA-N
XLogP3.22
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (CID 7951679) is 2-ethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C.
What is the InChIKey of 2-ethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is CXSQWXTYDZEIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-3-27-20-17(8-7-11-21-20)19(24)22-18-14-16(10-9-15(18)2)28(25,26)23-12-5-4-6-13-23/h7-11,14H,3-6,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-ethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
2-ethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 7951679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).