N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide

C24H28FN5O3 — CID 169115805

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 169115805) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide
• PubChem CID: 169115805
• Molecular Formula: C24H28FN5O3
• Molecular Weight: 453.52 g/mol
• Exact Mass: 453.22
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide
• SMILES: Cc1cc(NC(=O)C(=O)N2C[C@@H](C)N(C(=O)C3(C)CC3)C[C@@H]2c2ccc(F)cc2)cnc1N
• InChI: InChI=1S/C24H28FN5O3/c1-14-10-18(11-27-20(14)26)28-21(31)22(32)30-12-15(2)29(23(33)24(3)8-9-24)13-19(30)16-4-6-17(25)7-5-16/h4-7,10-11,15,19H,8-9,12-13H2,1-3H3,(H2,26,27)(H,28,31)/t15-,19-/m1/s1
• InChIKey: ZMZCCZJBVDXQQK-DNVCBOLYSA-N
• XLogP: 2.65
• TPSA: 108.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	2.65
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-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide (CID 169115805) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide.

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

The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2C[C@@H](C)N(C(=O)C3(C)CC3)C[C@@H]2c2ccc(F)cc2)cnc1N.

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

The InChIKey is ZMZCCZJBVDXQQK-DNVCBOLYSA-N. The full InChI is InChI=1S/C24H28FN5O3/c1-14-10-18(11-27-20(14)26)28-21(31)22(32)30-12-15(2)29(23(33)24(3)8-9-24)13-19(30)16-4-6-17(25)7-5-16/h4-7,10-11,15,19H,8-9,12-13H2,1-3H3,(H2,26,27)(H,28,31)/t15-,19-/m1/s1.

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

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 453.52 g/mol, XLogP of 2.65, 3 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-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169115805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).