N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,4R,5R)-2-(1,3-benzothiazol-5-yl)-4-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide

C24H29N5O2S — CID 164997318

About N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,4R,5R)-2-(1,3-benzothiazol-5-yl)-4-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,4R,5R)-2-(1,3-benzothiazol-5-yl)-4-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 164997318) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,4R,5R)-2-(1,3-benzothiazol-5-yl)-4-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,4R,5R)-2-(1,3-benzothiazol-5-yl)-4-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide
• PubChem CID: 164997318
• Molecular Formula: C24H29N5O2S
• Molecular Weight: 451.60 g/mol
• Exact Mass: 451.20
• IUPAC Name: N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,4R,5R)-2-(1,3-benzothiazol-5-yl)-4-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide
• SMILES: CCc1cc(NC(=O)C(=O)N2C[C@H](C)[C@H](CC)C[C@H]2c2ccc3scnc3c2)cnc1N
• InChI: InChI=1S/C24H29N5O2S/c1-4-15-10-20(17-6-7-21-19(9-17)27-13-32-21)29(12-14(15)3)24(31)23(30)28-18-8-16(5-2)22(25)26-11-18/h6-9,11,13-15,20H,4-5,10,12H2,1-3H3,(H2,25,26)(H,28,30)/t14-,15+,20-/m0/s1
• InChIKey: QXQUHHOLOKOSST-MDOVXXIYSA-N
• XLogP: 4.41
• TPSA: 101.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.60
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-ethyl-3-pyridinyl)-2-[(2S,4R,5R)-2-(1,3-benzothiazol-5-yl)-4-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,4R,5R)-2-(1,3-benzothiazol-5-yl)-4-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 164997318) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,4R,5R)-2-(1,3-benzothiazol-5-yl)-4-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide.

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

The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,4R,5R)-2-(1,3-benzothiazol-5-yl)-4-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide is CCc1cc(NC(=O)C(=O)N2C[C@H](C)[C@H](CC)C[C@H]2c2ccc3scnc3c2)cnc1N.

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

The InChIKey is QXQUHHOLOKOSST-MDOVXXIYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-4-15-10-20(17-6-7-21-19(9-17)27-13-32-21)29(12-14(15)3)24(31)23(30)28-18-8-16(5-2)22(25)26-11-18/h6-9,11,13-15,20H,4-5,10,12H2,1-3H3,(H2,25,26)(H,28,30)/t14-,15+,20-/m0/s1.

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

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,4R,5R)-2-(1,3-benzothiazol-5-yl)-4-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 451.60 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,4R,5R)-2-(1,3-benzothiazol-5-yl)-4-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164997318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).