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

C20H25N3O5S — CID 8014521

IUPAC2-ethoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC
InChIInChI=1S/C20H25N3O5S/c1-3-28-20-16(8-7-11-21-20)19(24)22-17-14-15(9-10-18(17)27-2)29(25,26)23-12-5-4-6-13-23/h7-11,14H,3-6,12-13H2,1-2H3,(H,22,24)
InChIKeyQKGYYNIELZJLTC-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.92
Rot. Bonds7

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

2-ethoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 8014521) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-ethoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID8014521
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name2-ethoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC
InChIInChI=1S/C20H25N3O5S/c1-3-28-20-16(8-7-11-21-20)19(24)22-17-14-15(9-10-18(17)27-2)29(25,26)23-12-5-4-6-13-23/h7-11,14H,3-6,12-13H2,1-2H3,(H,22,24)
InChIKeyQKGYYNIELZJLTC-UHFFFAOYSA-N
XLogP2.92
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.92
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-methoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (CID 8014521) is 2-ethoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC.
What is the InChIKey of 2-ethoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is QKGYYNIELZJLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-3-28-20-16(8-7-11-21-20)19(24)22-17-14-15(9-10-18(17)27-2)29(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-methoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
2-ethoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 8014521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).