N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide

C24H30FN5O3 — CID 169115833

About N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide (PubChem CID 169115833) has the molecular formula C24H30FN5O3 and a molecular weight of 455.53 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide
• PubChem CID: 169115833
• Molecular Formula: C24H30FN5O3
• Molecular Weight: 455.53 g/mol
• Exact Mass: 455.23
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide
• SMILES: Cc1cc(NC(=O)C(=O)N2CC(C)N(C(=O)C(C)(C)C)CC2c2ccc(F)cc2)cnc1N
• InChI: InChI=1S/C24H30FN5O3/c1-14-10-18(11-27-20(14)26)28-21(31)22(32)30-12-15(2)29(23(33)24(3,4)5)13-19(30)16-6-8-17(25)9-7-16/h6-11,15,19H,12-13H2,1-5H3,(H2,26,27)(H,28,31)
• InChIKey: OKRVXUZUYVHMDS-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 108.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.53
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide (CID 169115833) is N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide.

What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CC(C)N(C(=O)C(C)(C)C)CC2c2ccc(F)cc2)cnc1N.

What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide?

The InChIKey is OKRVXUZUYVHMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3/c1-14-10-18(11-27-20(14)26)28-21(31)22(32)30-12-15(2)29(23(33)24(3,4)5)13-19(30)16-6-8-17(25)9-7-16/h6-11,15,19H,12-13H2,1-5H3,(H2,26,27)(H,28,31).

What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide?

N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide has a molecular weight of 455.53 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169115833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).