N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide

C28H34N6OS — CID 67805594

About N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide

N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 67805594) has the molecular formula C28H34N6OS and a molecular weight of 502.69 g/mol. Its IUPAC name is N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
• PubChem CID: 67805594
• Molecular Formula: C28H34N6OS
• Molecular Weight: 502.69 g/mol
• Exact Mass: 502.25
• IUPAC Name: N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
• SMILES: O=C(NCCCN1CCN(C(c2ccccc2)c2ccccn2)CC1)C1CSC(c2cccnc2)N1
• InChI: InChI=1S/C28H34N6OS/c35-27(25-21-36-28(32-25)23-10-6-12-29-20-23)31-14-7-15-33-16-18-34(19-17-33)26(22-8-2-1-3-9-22)24-11-4-5-13-30-24/h1-6,8-13,20,25-26,28,32H,7,14-19,21H2,(H,31,35)
• InChIKey: GMGFMATWGOIZQI-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 73.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.69
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?

The IUPAC name of N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide (CID 67805594) is N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide is O=C(NCCCN1CCN(C(c2ccccc2)c2ccccn2)CC1)C1CSC(c2cccnc2)N1.

What is the InChIKey of N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?

The InChIKey is GMGFMATWGOIZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6OS/c35-27(25-21-36-28(32-25)23-10-6-12-29-20-23)31-14-7-15-33-16-18-34(19-17-33)26(22-8-2-1-3-9-22)24-11-4-5-13-30-24/h1-6,8-13,20,25-26,28,32H,7,14-19,21H2,(H,31,35).

What are the key properties of N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?

N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 502.69 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 67805594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).