N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen

C27H36N6O4S — CID 158921606

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 158921606) has the molecular formula C27H36N6O4S and a molecular weight of 540.69 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 158921606
• Molecular Formula: C27H36N6O4S
• Molecular Weight: 540.69 g/mol
• Exact Mass: 540.25
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen
• SMILES: CC1CN(c2nc(-c3ccc(OC(C)C)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)CC(C)(C)C1.[H][H]
• InChI: InChI=1S/C27H34N6O4S.H2/c1-17(2)37-23-12-9-19(14-29-23)21-11-10-20(25(30-21)33-15-18(3)13-27(4,5)16-33)26(34)32-38(35,36)24-8-6-7-22(28)31-24;/h6-12,14,17-18H,13,15-16H2,1-5H3,(H2,28,31)(H,32,34);1H
• InChIKey: JHXCSZHFLYESGQ-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 140.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.69
LogP ≤ 5	4.15
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-propan-2-yloxy-3-pyridinyl)-2-(3,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen (CID 158921606) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen is CC1CN(c2nc(-c3ccc(OC(C)C)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)CC(C)(C)C1.[H][H].

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is JHXCSZHFLYESGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4S.H2/c1-17(2)37-23-12-9-19(14-29-23)21-11-10-20(25(30-21)33-15-18(3)13-27(4,5)16-33)26(34)32-38(35,36)24-8-6-7-22(28)31-24;/h6-12,14,17-18H,13,15-16H2,1-5H3,(H2,28,31)(H,32,34);1H.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 540.69 g/mol, XLogP of 4.15, 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-propan-2-yloxy-3-pyridinyl)-2-(3,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158921606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).