2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide

C18H24ClN7O2S — CID 10344824

About 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide

2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 10344824) has the molecular formula C18H24ClN7O2S and a molecular weight of 437.96 g/mol. Its IUPAC name is 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
• PubChem CID: 10344824
• Molecular Formula: C18H24ClN7O2S
• Molecular Weight: 437.96 g/mol
• Exact Mass: 437.14
• IUPAC Name: 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
• SMILES: N#CC1CSCN1C(=O)CN(N)C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1
• InChI: InChI=1S/C18H24ClN7O2S/c19-13-1-2-16(22-8-13)23-17(27)9-24-5-3-14(4-6-24)26(21)10-18(28)25-12-29-11-15(25)7-20/h1-2,8,14-15H,3-6,9-12,21H2,(H,22,23,27)
• InChIKey: DFFXGYZKYOSQOB-UHFFFAOYSA-N
• XLogP: 0.74
• TPSA: 118.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.96
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?

The IUPAC name of 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide (CID 10344824) is 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide.

What is the SMILES notation for 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?

The canonical SMILES for 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide is N#CC1CSCN1C(=O)CN(N)C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1.

What is the InChIKey of 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?

The InChIKey is DFFXGYZKYOSQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN7O2S/c19-13-1-2-16(22-8-13)23-17(27)9-24-5-3-14(4-6-24)26(21)10-18(28)25-12-29-11-15(25)7-20/h1-2,8,14-15H,3-6,9-12,21H2,(H,22,23,27).

What are the key properties of 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?

2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 437.96 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 10344824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).