N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide

C20H25N5O4S — CID 175471315

About N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 175471315) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
• PubChem CID: 175471315
• Molecular Formula: C20H25N5O4S
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.16
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
• SMILES: Cc1cc(NC(=O)C(=O)N2CC(C)CCC2c2ccc(S(C)(=O)=O)nc2)cnc1N
• InChI: InChI=1S/C20H25N5O4S/c1-12-4-6-16(14-5-7-17(22-9-14)30(3,28)29)25(11-12)20(27)19(26)24-15-8-13(2)18(21)23-10-15/h5,7-10,12,16H,4,6,11H2,1-3H3,(H2,21,23)(H,24,26)
• InChIKey: CTAAVPNZYJUEOH-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 135.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide (CID 175471315) is N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide.

What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CC(C)CCC2c2ccc(S(C)(=O)=O)nc2)cnc1N.

What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide?

The InChIKey is CTAAVPNZYJUEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-12-4-6-16(14-5-7-17(22-9-14)30(3,28)29)25(11-12)20(27)19(26)24-15-8-13(2)18(21)23-10-15/h5,7-10,12,16H,4,6,11H2,1-3H3,(H2,21,23)(H,24,26).

What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide?

N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 431.52 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 175471315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).