N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide

C23H25FN6O4S — CID 139459034

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 139459034) has the molecular formula C23H25FN6O4S and a molecular weight of 500.56 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 139459034
• Molecular Formula: C23H25FN6O4S
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.16
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide
• SMILES: CCOc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(F)CC3)n2)cn1
• InChI: InChI=1S/C23H25FN6O4S/c1-2-34-20-9-6-15(14-26-20)18-8-7-17(22(27-18)30-12-10-16(24)11-13-30)23(31)29-35(32,33)21-5-3-4-19(25)28-21/h3-9,14,16H,2,10-13H2,1H3,(H2,25,28)(H,29,31)
• InChIKey: BFSLPZLZNNHNPG-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 140.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide (CID 139459034) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide is CCOc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(F)CC3)n2)cn1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide?

The InChIKey is BFSLPZLZNNHNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O4S/c1-2-34-20-9-6-15(14-26-20)18-8-7-17(22(27-18)30-12-10-16(24)11-13-30)23(31)29-35(32,33)21-5-3-4-19(25)28-21/h3-9,14,16H,2,10-13H2,1H3,(H2,25,28)(H,29,31).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 500.56 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 139459034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).