N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide

C22H24ClF3N4O2 — CID 175637964

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 175637964) has the molecular formula C22H24ClF3N4O2 and a molecular weight of 468.91 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide
• PubChem CID: 175637964
• Molecular Formula: C22H24ClF3N4O2
• Molecular Weight: 468.91 g/mol
• Exact Mass: 468.15
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide
• SMILES: Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@]2(C)c2ccc(C(F)(F)F)c(Cl)c2)cnc1N
• InChI: InChI=1S/C22H24ClF3N4O2/c1-12-6-7-21(3,14-4-5-16(17(23)9-14)22(24,25)26)30(11-12)20(32)19(31)29-15-8-13(2)18(27)28-10-15/h4-5,8-10,12H,6-7,11H2,1-3H3,(H2,27,28)(H,29,31)/t12-,21-/m0/s1
• InChIKey: SQPKQBGQXVMMEM-QKVFXAPYSA-N
• XLogP: 4.76
• TPSA: 88.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.91
LogP ≤ 5	4.76
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,5S)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide (CID 175637964) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide.

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

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

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

The InChIKey is SQPKQBGQXVMMEM-QKVFXAPYSA-N. The full InChI is InChI=1S/C22H24ClF3N4O2/c1-12-6-7-21(3,14-4-5-16(17(23)9-14)22(24,25)26)30(11-12)20(32)19(31)29-15-8-13(2)18(27)28-10-15/h4-5,8-10,12H,6-7,11H2,1-3H3,(H2,27,28)(H,29,31)/t12-,21-/m0/s1.

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

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 468.91 g/mol, XLogP of 4.76, 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,5S)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 175637964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).