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

C21H22F4N4O2 — CID 175637336

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

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3,4-difluorophenyl)-4,4-difluoro-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 175637336) has the molecular formula C21H22F4N4O2 and a molecular weight of 438.43 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3,4-difluorophenyl)-4,4-difluoro-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3,4-difluorophenyl)-4,4-difluoro-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide
• PubChem CID: 175637336
• Molecular Formula: C21H22F4N4O2
• Molecular Weight: 438.43 g/mol
• Exact Mass: 438.17
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3,4-difluorophenyl)-4,4-difluoro-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide
• SMILES: Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C(F)(F)C[C@@]2(C)c2ccc(F)c(F)c2)cnc1N
• InChI: InChI=1S/C21H22F4N4O2/c1-11-6-14(8-27-17(11)26)28-18(30)19(31)29-9-12(2)21(24,25)10-20(29,3)13-4-5-15(22)16(23)7-13/h4-8,12H,9-10H2,1-3H3,(H2,26,27)(H,28,30)/t12-,20+/m1/s1
• InChIKey: QFUYUPQNXYEIQN-ODXCJYRJSA-N
• XLogP: 3.61
• TPSA: 88.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.43
LogP ≤ 5	3.61
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-[(2S,5R)-2-(3,4-difluorophenyl)-4,4-difluoro-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3,4-difluorophenyl)-4,4-difluoro-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide (CID 175637336) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3,4-difluorophenyl)-4,4-difluoro-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide.

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

The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3,4-difluorophenyl)-4,4-difluoro-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C(F)(F)C[C@@]2(C)c2ccc(F)c(F)c2)cnc1N.

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

The InChIKey is QFUYUPQNXYEIQN-ODXCJYRJSA-N. The full InChI is InChI=1S/C21H22F4N4O2/c1-11-6-14(8-27-17(11)26)28-18(30)19(31)29-9-12(2)21(24,25)10-20(29,3)13-4-5-15(22)16(23)7-13/h4-8,12H,9-10H2,1-3H3,(H2,26,27)(H,28,30)/t12-,20+/m1/s1.

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

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3,4-difluorophenyl)-4,4-difluoro-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 438.43 g/mol, XLogP of 3.61, 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-[(2S,5R)-2-(3,4-difluorophenyl)-4,4-difluoro-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 175637336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).