N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide

C₂₀H₃₀N₄O₂ — CID 164750802

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

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 164750802) has the molecular formula C₂₀H₃₀N₄O₂ and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide
• PubChem CID: 164750802
• Molecular Formula: C₂₀H₃₀N₄O₂
• Molecular Weight: 358.49 g/mol
• Exact Mass: 358.24
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide
• SMILES: Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C2CCCCC2)cnc1N
• InChI: InChI=1S/C20H30N4O2/c1-13-8-9-17(15-6-4-3-5-7-15)24(12-13)20(26)19(25)23-16-10-14(2)18(21)22-11-16/h10-11,13,15,17H,3-9,12H2,1-2H3,(H2,21,22)(H,23,25)/t13-,17-/m1/s1
• InChIKey: JCGGSEKYBKBVBS-CXAGYDPISA-N
• XLogP: 3.12
• TPSA: 88.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.49
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 164750802) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide.

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

The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C2CCCCC2)cnc1N.

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

The InChIKey is JCGGSEKYBKBVBS-CXAGYDPISA-N. The full InChI is InChI=1S/C20H30N4O2/c1-13-8-9-17(15-6-4-3-5-7-15)24(12-13)20(26)19(25)23-16-10-14(2)18(21)22-11-16/h10-11,13,15,17H,3-9,12H2,1-2H3,(H2,21,22)(H,23,25)/t13-,17-/m1/s1.

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

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 358.49 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164750802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164750802 — identifiers, structure, computed properties (public domain)

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