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

C40H42Cl2F4N8O4 — CID 164978634

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

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 164978634) has the molecular formula C40H42Cl2F4N8O4 and a molecular weight of 845.73 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide
• PubChem CID: 164978634
• Molecular Formula: C40H42Cl2F4N8O4
• Molecular Weight: 845.73 g/mol
• Exact Mass: 844.26
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide
• SMILES: Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C(F)(F)C[C@@H]2c2cccc(Cl)c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2cccc(Cl)c2)cnc1N
• InChI: InChI=1S/2C20H21ClF2N4O2/c2*1-11-6-15(9-25-17(11)24)26-18(28)19(29)27-10-12(2)20(22,23)8-16(27)13-4-3-5-14(21)7-13/h2*3-7,9,12,16H,8,10H2,1-2H3,(H2,24,25)(H,26,28)/t2*12-,16-/m10/s1
• InChIKey: FDOYFUQUOSUCIU-WNFQZRLWSA-N
• XLogP: 7.62
• TPSA: 176.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.73
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	4
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 N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 164978634) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide.

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

The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C(F)(F)C[C@@H]2c2cccc(Cl)c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2cccc(Cl)c2)cnc1N.

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

The InChIKey is FDOYFUQUOSUCIU-WNFQZRLWSA-N. The full InChI is InChI=1S/2C20H21ClF2N4O2/c2*1-11-6-15(9-25-17(11)24)26-18(28)19(29)27-10-12(2)20(22,23)8-16(27)13-4-3-5-14(21)7-13/h2*3-7,9,12,16H,8,10H2,1-2H3,(H2,24,25)(H,26,28)/t2*12-,16-/m10/s1.

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

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 845.73 g/mol, XLogP of 7.62, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(3-chlorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164978634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).