N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4S,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide

C75H93N15O6S3 — CID 165094678

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4S,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4S,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 165094678) has the molecular formula C75H93N15O6S3 and a molecular weight of 1396.87 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4S,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4S,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide
• PubChem CID: 165094678
• Molecular Formula: C75H93N15O6S3
• Molecular Weight: 1396.87 g/mol
• Exact Mass: 1395.66
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4S,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide
• SMILES: Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C(CC(C)C)C[C@@H]2c2ccc3scnc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](CC(C)C)C[C@@H]2c2ccc3scnc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](CC(C)C)C[C@@H]2c2ccc3scnc3c2)cnc1N
• InChI: InChI=1S/3C25H31N5O2S/c3*1-14(2)7-18-10-21(17-5-6-22-20(9-17)28-13-33-22)30(12-16(18)4)25(32)24(31)29-19-8-15(3)23(26)27-11-19/h3*5-6,8-9,11,13-14,16,18,21H,7,10,12H2,1-4H3,(H2,26,27)(H,29,31)/t16-,18?,21-;16-,18+,21-;16-,18-,21-/m111/s1
• InChIKey: XHIAQVVFUAUVFT-VYFJUXRRSA-N
• XLogP: 14.38
• TPSA: 303.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1396.87
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

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-[(2R,4S,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4S,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide (CID 165094678) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4S,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide.

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

The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4S,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C(CC(C)C)C[C@@H]2c2ccc3scnc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](CC(C)C)C[C@@H]2c2ccc3scnc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](CC(C)C)C[C@@H]2c2ccc3scnc3c2)cnc1N.

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

The InChIKey is XHIAQVVFUAUVFT-VYFJUXRRSA-N. The full InChI is InChI=1S/3C25H31N5O2S/c3*1-14(2)7-18-10-21(17-5-6-22-20(9-17)28-13-33-22)30(12-16(18)4)25(32)24(31)29-19-8-15(3)23(26)27-11-19/h3*5-6,8-9,11,13-14,16,18,21H,7,10,12H2,1-4H3,(H2,26,27)(H,29,31)/t16-,18?,21-;16-,18+,21-;16-,18-,21-/m111/s1.

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

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4S,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 1396.87 g/mol, XLogP of 14.38, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4S,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 165094678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).