N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(2-piperidin-1-ylpyrimidin-5-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen

C30H36N6O4S — CID 161046094

About N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(2-piperidin-1-ylpyrimidin-5-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen

N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(2-piperidin-1-ylpyrimidin-5-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 161046094) has the molecular formula C30H36N6O4S and a molecular weight of 576.72 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(2-piperidin-1-ylpyrimidin-5-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(2-piperidin-1-ylpyrimidin-5-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 161046094
• Molecular Formula: C30H36N6O4S
• Molecular Weight: 576.72 g/mol
• Exact Mass: 576.25
• IUPAC Name: N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(2-piperidin-1-ylpyrimidin-5-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
• SMILES: Cc1cc(C)c(Oc2nc(-c3cnc(N4CCCCC4)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(C)n2)c(C)c1.[H][H].[H][H]
• InChI: InChI=1S/C30H32N6O4S.2H2/c1-19-15-20(2)27(21(3)16-19)40-29-24(28(37)35-41(38,39)26-10-8-9-22(4)33-26)11-12-25(34-29)23-17-31-30(32-18-23)36-13-6-5-7-14-36;;/h8-12,15-18H,5-7,13-14H2,1-4H3,(H,35,37);2*1H
• InChIKey: UBNBTKBIPJDZBK-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 127.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.72
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(2-piperidin-1-ylpyrimidin-5-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(2-piperidin-1-ylpyrimidin-5-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen (CID 161046094) is N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(2-piperidin-1-ylpyrimidin-5-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(2-piperidin-1-ylpyrimidin-5-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(2-piperidin-1-ylpyrimidin-5-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen is Cc1cc(C)c(Oc2nc(-c3cnc(N4CCCCC4)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(C)n2)c(C)c1.[H][H].[H][H].

What is the InChIKey of N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(2-piperidin-1-ylpyrimidin-5-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is UBNBTKBIPJDZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O4S.2H2/c1-19-15-20(2)27(21(3)16-19)40-29-24(28(37)35-41(38,39)26-10-8-9-22(4)33-26)11-12-25(34-29)23-17-31-30(32-18-23)36-13-6-5-7-14-36;;/h8-12,15-18H,5-7,13-14H2,1-4H3,(H,35,37);2*1H.

What are the key properties of N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(2-piperidin-1-ylpyrimidin-5-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?

N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(2-piperidin-1-ylpyrimidin-5-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 576.72 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(2-piperidin-1-ylpyrimidin-5-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 161046094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).