2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide

C44H66N10O6 — CID 165062478

About 2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide

2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide (PubChem CID 165062478) has the molecular formula C44H66N10O6 and a molecular weight of 831.08 g/mol. Its IUPAC name is 2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide
• PubChem CID: 165062478
• Molecular Formula: C44H66N10O6
• Molecular Weight: 831.08 g/mol
• Exact Mass: 830.52
• IUPAC Name: 2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide
• SMILES: CC(=O)NC1CCC([C@@H]2CC[C@@H](C)CN2C(=O)C(=O)Nc2cnc(N)c(C)c2)CC1.CC(=O)NC1CCC([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2cnc(N)c(C)c2)CC1
• InChI: InChI=1S/2C22H33N5O3/c2*1-13-4-9-19(16-5-7-17(8-6-16)25-15(3)28)27(12-13)22(30)21(29)26-18-10-14(2)20(23)24-11-18/h2*10-11,13,16-17,19H,4-9,12H2,1-3H3,(H2,23,24)(H,25,28)(H,26,29)/t2*13-,16?,17?,19+/m10/s1
• InChIKey: RKTIGASNSXWZMG-WZNGFFOASA-N
• XLogP: 4.47
• TPSA: 234.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.08
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide?

The IUPAC name of 2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide (CID 165062478) is 2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide.

What is the SMILES notation for 2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide?

The canonical SMILES for 2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide is CC(=O)NC1CCC([C@@H]2CC[C@@H](C)CN2C(=O)C(=O)Nc2cnc(N)c(C)c2)CC1.CC(=O)NC1CCC([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2cnc(N)c(C)c2)CC1.

What is the InChIKey of 2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide?

The InChIKey is RKTIGASNSXWZMG-WZNGFFOASA-N. The full InChI is InChI=1S/2C22H33N5O3/c2*1-13-4-9-19(16-5-7-17(8-6-16)25-15(3)28)27(12-13)22(30)21(29)26-18-10-14(2)20(23)24-11-18/h2*10-11,13,16-17,19H,4-9,12H2,1-3H3,(H2,23,24)(H,25,28)(H,26,29)/t2*13-,16?,17?,19+/m10/s1.

What are the key properties of 2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide?

2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide has a molecular weight of 831.08 g/mol, XLogP of 4.47, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,5R)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(4-acetamidocyclohexyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 165062478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).