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

C18H25Cl2N7O2S — CID 46882855

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

2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide;hydrochloride (PubChem CID 46882855) has the molecular formula C18H25Cl2N7O2S and a molecular weight of 474.42 g/mol. Its IUPAC name is 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide;hydrochloride
• PubChem CID: 46882855
• Molecular Formula: C18H25Cl2N7O2S
• Molecular Weight: 474.42 g/mol
• Exact Mass: 473.12
• IUPAC Name: 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide;hydrochloride
• SMILES: Cl.N#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(CC(=O)Nc2cccnc2Cl)CC1
• InChI: InChI=1S/C18H24ClN7O2S.ClH/c19-18-15(2-1-5-22-18)23-16(27)9-24-6-3-13(4-7-24)26(21)10-17(28)25-12-29-11-14(25)8-20;/h1-2,5,13-14H,3-4,6-7,9-12,21H2,(H,23,27);1H/t14-;/m1./s1
• InChIKey: XTFLGPAQMHMUMH-PFEQFJNWSA-N
• XLogP: 1.16
• TPSA: 118.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.42
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide;hydrochloride?

The IUPAC name of 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide;hydrochloride (CID 46882855) is 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide;hydrochloride.

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

The canonical SMILES for 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide;hydrochloride is Cl.N#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(CC(=O)Nc2cccnc2Cl)CC1.

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

The InChIKey is XTFLGPAQMHMUMH-PFEQFJNWSA-N. The full InChI is InChI=1S/C18H24ClN7O2S.ClH/c19-18-15(2-1-5-22-18)23-16(27)9-24-6-3-13(4-7-24)26(21)10-17(28)25-12-29-11-14(25)8-20;/h1-2,5,13-14H,3-4,6-7,9-12,21H2,(H,23,27);1H/t14-;/m1./s1.

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

2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide;hydrochloride has a molecular weight of 474.42 g/mol, XLogP of 1.16, 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-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide;hydrochloride is sourced from PubChem (CID 46882855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).