N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen

C26H34N6O5S — CID 160560665

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 160560665) has the molecular formula C26H34N6O5S and a molecular weight of 542.66 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 160560665
• Molecular Formula: C26H34N6O5S
• Molecular Weight: 542.66 g/mol
• Exact Mass: 542.23
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
• SMILES: CCOC1CCN(c2nc(-c3ccc(OC(C)C)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)CC1.[H][H]
• InChI: InChI=1S/C26H32N6O5S.H2/c1-4-36-19-12-14-32(15-13-19)25-20(26(33)31-38(34,35)24-7-5-6-22(27)30-24)9-10-21(29-25)18-8-11-23(28-16-18)37-17(2)3;/h5-11,16-17,19H,4,12-15H2,1-3H3,(H2,27,30)(H,31,33);1H
• InChIKey: QZGLLEDEHAAMBA-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 149.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.66
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen (CID 160560665) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen is CCOC1CCN(c2nc(-c3ccc(OC(C)C)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)CC1.[H][H].

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is QZGLLEDEHAAMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O5S.H2/c1-4-36-19-12-14-32(15-13-19)25-20(26(33)31-38(34,35)24-7-5-6-22(27)30-24)9-10-21(29-25)18-8-11-23(28-16-18)37-17(2)3;/h5-11,16-17,19H,4,12-15H2,1-3H3,(H2,27,30)(H,31,33);1H.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 542.66 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 160560665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).