6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide

C19H30N6O2S — CID 23014330

IUPAC6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCN(CCCCC(N)C(=O)N3CCSC3)CC2)nc1
InChIInChI=1S/C19H30N6O2S/c20-16(19(27)25-11-12-28-14-25)3-1-2-6-23-7-9-24(10-8-23)17-5-4-15(13-22-17)18(21)26/h4-5,13,16H,1-3,6-12,14,20H2,(H2,21,26)
InChIKeyHDPOJBNNVMGXMX-UHFFFAOYSA-N
MW406.56 g/mol
LogP0.33
Rot. Bonds8

About 6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide

6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 23014330) has the molecular formula C19H30N6O2S and a molecular weight of 406.56 g/mol. Its IUPAC name is 6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID23014330
Molecular FormulaC19H30N6O2S
Molecular Weight406.56 g/mol
Exact Mass406.22
IUPAC Name6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCN(CCCCC(N)C(=O)N3CCSC3)CC2)nc1
InChIInChI=1S/C19H30N6O2S/c20-16(19(27)25-11-12-28-14-25)3-1-2-6-23-7-9-24(10-8-23)17-5-4-15(13-22-17)18(21)26/h4-5,13,16H,1-3,6-12,14,20H2,(H2,21,26)
InChIKeyHDPOJBNNVMGXMX-UHFFFAOYSA-N
XLogP0.33
TPSA108.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide (CID 23014330) is 6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1ccc(N2CCN(CCCCC(N)C(=O)N3CCSC3)CC2)nc1.
What is the InChIKey of 6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is HDPOJBNNVMGXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2S/c20-16(19(27)25-11-12-28-14-25)3-1-2-6-23-7-9-24(10-8-23)17-5-4-15(13-22-17)18(21)26/h4-5,13,16H,1-3,6-12,14,20H2,(H2,21,26).
What are the key properties of 6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide?
6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 406.56 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 23014330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).