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

C18H24ClN7O2S — CID 46188797

IUPAC2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESN#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=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)/t15-/m1/s1
InChIKeyDFFXGYZKYOSQOB-OAHLLOKOSA-N
MW437.96 g/mol
LogP0.74
Rot. Bonds6

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

2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 46188797) has the molecular formula C18H24ClN7O2S and a molecular weight of 437.96 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-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID46188797
Molecular FormulaC18H24ClN7O2S
Molecular Weight437.96 g/mol
Exact Mass437.14
IUPAC Name2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESN#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=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)/t15-/m1/s1
InChIKeyDFFXGYZKYOSQOB-OAHLLOKOSA-N
XLogP0.74
TPSA118.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.96
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide (CID 46188797) is 2-[4-[amino-[2-[(4R)-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-[(4R)-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-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide is N#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(CC(=O)Nc2ccc(Cl)cn2)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-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is DFFXGYZKYOSQOB-OAHLLOKOSA-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)/t15-/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-chloro-2-pyridinyl)acetamide?
2-[4-[amino-[2-[(4R)-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-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 46188797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).