5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide

C16H20N4OS2 — CID 166403475

IUPAC5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide
SMILESO=C(CCCCC1CCSS1)Nc1cc(-c2cccnc2)[nH]n1
InChIInChI=1S/C16H20N4OS2/c21-16(6-2-1-5-13-7-9-22-23-13)18-15-10-14(19-20-15)12-4-3-8-17-11-12/h3-4,8,10-11,13H,1-2,5-7,9H2,(H2,18,19,20,21)
InChIKeySPVIFJRNJAYGIQ-UHFFFAOYSA-N
MW348.50 g/mol
LogP4.12
Rot. Bonds7

About 5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide

5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide (PubChem CID 166403475) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide
PubChem CID166403475
Molecular FormulaC16H20N4OS2
Molecular Weight348.50 g/mol
Exact Mass348.11
IUPAC Name5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide
SMILESO=C(CCCCC1CCSS1)Nc1cc(-c2cccnc2)[nH]n1
InChIInChI=1S/C16H20N4OS2/c21-16(6-2-1-5-13-7-9-22-23-13)18-15-10-14(19-20-15)12-4-3-8-17-11-12/h3-4,8,10-11,13H,1-2,5-7,9H2,(H2,18,19,20,21)
InChIKeySPVIFJRNJAYGIQ-UHFFFAOYSA-N
XLogP4.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide
CID 95908828
5-[(3R)-dithiolan-3-yl]-N-[2-[[(E)-4-pyridin-3-ylbut-3-enoyl]amino]ethyl]pentanamide
CID 66558266
5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 30864279
N-(5-pyridin-3-yl-1H-pyrazol-3-yl)acetamide
CID 137321038
5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide
CID 35875492
5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 24648854
N-(1,3-benzothiazol-2-yl)-5-(dithiolan-3-yl)pentanamide
CID 24644798
5-(dithiolan-3-yl)-N-(4-oxo-3H-quinazolin-6-yl)pentanamide
CID 135639539
N-[3-[5-(dithiolan-3-yl)pentanoylamino]phenyl]benzamide
CID 60517095
(2S)-2-[5-(dithiolan-3-yl)pentanoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18396850
5-(dithiolan-3-yl)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 102564574
5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide
CID 24646698

Frequently Asked Questions

What is the IUPAC name of 5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide?
The IUPAC name of 5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide (CID 166403475) is 5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide.
What is the SMILES notation for 5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide?
The canonical SMILES for 5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide is O=C(CCCCC1CCSS1)Nc1cc(-c2cccnc2)[nH]n1.
What is the InChIKey of 5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide?
The InChIKey is SPVIFJRNJAYGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS2/c21-16(6-2-1-5-13-7-9-22-23-13)18-15-10-14(19-20-15)12-4-3-8-17-11-12/h3-4,8,10-11,13H,1-2,5-7,9H2,(H2,18,19,20,21).
What are the key properties of 5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide?
5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide has a molecular weight of 348.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide is sourced from PubChem (CID 166403475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).