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

C42H56N12O8S2 — CID 165076589

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

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 165076589) has the molecular formula C42H56N12O8S2 and a molecular weight of 921.12 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
• PubChem CID: 165076589
• Molecular Formula: C42H56N12O8S2
• Molecular Weight: 921.12 g/mol
• Exact Mass: 920.38
• IUPAC Name: N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
• SMILES: CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(NS(C)(=O)=O)nc2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(NS(C)(=O)=O)nc2)cnc1N
• InChI: InChI=1S/2C21H28N6O4S/c2*1-4-14-9-16(11-24-19(14)22)25-20(28)21(29)27-12-13(2)5-7-17(27)15-6-8-18(23-10-15)26-32(3,30)31/h2*6,8-11,13,17H,4-5,7,12H2,1-3H3,(H2,22,24)(H,23,26)(H,25,28)/t2*13-,17+/m10/s1
• InChIKey: UKGBMTOBRHWMCN-ZRSASKIISA-N
• XLogP: 3.86
• TPSA: 294.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	921.12
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

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-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 165076589) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide.

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

The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(NS(C)(=O)=O)nc2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(NS(C)(=O)=O)nc2)cnc1N.

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

The InChIKey is UKGBMTOBRHWMCN-ZRSASKIISA-N. The full InChI is InChI=1S/2C21H28N6O4S/c2*1-4-14-9-16(11-24-19(14)22)25-20(28)21(29)27-12-13(2)5-7-17(27)15-6-8-18(23-10-15)26-32(3,30)31/h2*6,8-11,13,17H,4-5,7,12H2,1-3H3,(H2,22,24)(H,23,26)(H,25,28)/t2*13-,17+/m10/s1.

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

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 921.12 g/mol, XLogP of 3.86, 10 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 165076589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).