5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide

C21H26N6O6S — CID 164752908

About 5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide

5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide (PubChem CID 164752908) has the molecular formula C21H26N6O6S and a molecular weight of 490.54 g/mol. Its IUPAC name is 5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
• PubChem CID: 164752908
• Molecular Formula: C21H26N6O6S
• Molecular Weight: 490.54 g/mol
• Exact Mass: 490.16
• IUPAC Name: 5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
• SMILES: COc1ncc(NC(=O)C(=O)N2CC(C)CCC2c2ccc(NS(C)(=O)=O)nc2)cc1C(N)=O
• InChI: InChI=1S/C21H26N6O6S/c1-12-4-6-16(13-5-7-17(23-9-13)26-34(3,31)32)27(11-12)21(30)19(29)25-14-8-15(18(22)28)20(33-2)24-10-14/h5,7-10,12,16H,4,6,11H2,1-3H3,(H2,22,28)(H,23,26)(H,25,29)
• InChIKey: CCWNDZGHWZPWOY-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 173.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.54
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?

The IUPAC name of 5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide (CID 164752908) is 5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for 5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?

The canonical SMILES for 5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide is COc1ncc(NC(=O)C(=O)N2CC(C)CCC2c2ccc(NS(C)(=O)=O)nc2)cc1C(N)=O.

What is the InChIKey of 5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?

The InChIKey is CCWNDZGHWZPWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O6S/c1-12-4-6-16(13-5-7-17(23-9-13)26-34(3,31)32)27(11-12)21(30)19(29)25-14-8-15(18(22)28)20(33-2)24-10-14/h5,7-10,12,16H,4,6,11H2,1-3H3,(H2,22,28)(H,23,26)(H,25,29).

What are the key properties of 5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?

5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide has a molecular weight of 490.54 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 164752908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).