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

C19H25ClN8O2S — CID 46882853

IUPAC2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-cyano-2-pyridinyl)acetamide;hydrochloride
SMILESCl.N#Cc1ccc(NC(=O)CN2CCC(N(N)CC(=O)N3CSC[C@H]3C#N)CC2)nc1
InChIInChI=1S/C19H24N8O2S.ClH/c20-7-14-1-2-17(23-9-14)24-18(28)10-25-5-3-15(4-6-25)27(22)11-19(29)26-13-30-12-16(26)8-21;/h1-2,9,15-16H,3-6,10-13,22H2,(H,23,24,28);1H/t16-;/m1./s1
InChIKeyKDSPQSSYBOQCBW-PKLMIRHRSA-N
MW464.98 g/mol
LogP0.38
Rot. Bonds6

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

2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-cyano-2-pyridinyl)acetamide;hydrochloride (PubChem CID 46882853) has the molecular formula C19H25ClN8O2S and a molecular weight of 464.98 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-(5-cyano-2-pyridinyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-cyano-2-pyridinyl)acetamide;hydrochloride
PubChem CID46882853
Molecular FormulaC19H25ClN8O2S
Molecular Weight464.98 g/mol
Exact Mass464.15
IUPAC Name2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-cyano-2-pyridinyl)acetamide;hydrochloride
SMILESCl.N#Cc1ccc(NC(=O)CN2CCC(N(N)CC(=O)N3CSC[C@H]3C#N)CC2)nc1
InChIInChI=1S/C19H24N8O2S.ClH/c20-7-14-1-2-17(23-9-14)24-18(28)10-25-5-3-15(4-6-25)27(22)11-19(29)26-13-30-12-16(26)8-21;/h1-2,9,15-16H,3-6,10-13,22H2,(H,23,24,28);1H/t16-;/m1./s1
InChIKeyKDSPQSSYBOQCBW-PKLMIRHRSA-N
XLogP0.38
TPSA142.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-cyano-2-pyridinyl)acetamide;hydrochloride with MolForge

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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-(5-cyano-2-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-(5-cyano-2-pyridinyl)acetamide;hydrochloride (CID 46882853) is 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-cyano-2-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-(5-cyano-2-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-(5-cyano-2-pyridinyl)acetamide;hydrochloride is Cl.N#Cc1ccc(NC(=O)CN2CCC(N(N)CC(=O)N3CSC[C@H]3C#N)CC2)nc1.
What is the InChIKey of 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-cyano-2-pyridinyl)acetamide;hydrochloride?
The InChIKey is KDSPQSSYBOQCBW-PKLMIRHRSA-N. The full InChI is InChI=1S/C19H24N8O2S.ClH/c20-7-14-1-2-17(23-9-14)24-18(28)10-25-5-3-15(4-6-25)27(22)11-19(29)26-13-30-12-16(26)8-21;/h1-2,9,15-16H,3-6,10-13,22H2,(H,23,24,28);1H/t16-;/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-(5-cyano-2-pyridinyl)acetamide;hydrochloride?
2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-cyano-2-pyridinyl)acetamide;hydrochloride has a molecular weight of 464.98 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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-(5-cyano-2-pyridinyl)acetamide;hydrochloride is sourced from PubChem (CID 46882853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).