5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide

C18H28N4OS2 — CID 24646698

IUPAC5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide
SMILESCN1CCN(c2ccc(NC(=O)CCCCC3CCSS3)cn2)CC1
InChIInChI=1S/C18H28N4OS2/c1-21-9-11-22(12-10-21)17-7-6-15(14-19-17)20-18(23)5-3-2-4-16-8-13-24-25-16/h6-7,14,16H,2-5,8-13H2,1H3,(H,20,23)
InChIKeyFLAMTHSOKGVVPG-UHFFFAOYSA-N
MW380.58 g/mol
LogP3.49
Rot. Bonds7

About 5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide

5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide (PubChem CID 24646698) has the molecular formula C18H28N4OS2 and a molecular weight of 380.58 g/mol. Its IUPAC name is 5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide.

Molecular Properties

Compound Name5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide
PubChem CID24646698
Molecular FormulaC18H28N4OS2
Molecular Weight380.58 g/mol
Exact Mass380.17
IUPAC Name5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide
SMILESCN1CCN(c2ccc(NC(=O)CCCCC3CCSS3)cn2)CC1
InChIInChI=1S/C18H28N4OS2/c1-21-9-11-22(12-10-21)17-7-6-15(14-19-17)20-18(23)5-3-2-4-16-8-13-24-25-16/h6-7,14,16H,2-5,8-13H2,1H3,(H,20,23)
InChIKeyFLAMTHSOKGVVPG-UHFFFAOYSA-N
XLogP3.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(dithiolan-3-yl)-N-[4-(propanoylamino)phenyl]pentanamide
CID 55847390
5-(dithiolan-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pentanamide
CID 102564787
5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 24648854
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 37334790
2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 111536468
5-[(3R)-dithiolan-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one
CID 96556681
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
N-(3-acetamido-4-fluorophenyl)-5-(dithiolan-3-yl)pentanamide
CID 55546012
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 26126723

Frequently Asked Questions

What is the IUPAC name of 5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide?
The IUPAC name of 5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide (CID 24646698) is 5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide.
What is the SMILES notation for 5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide?
The canonical SMILES for 5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide is CN1CCN(c2ccc(NC(=O)CCCCC3CCSS3)cn2)CC1.
What is the InChIKey of 5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide?
The InChIKey is FLAMTHSOKGVVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS2/c1-21-9-11-22(12-10-21)17-7-6-15(14-19-17)20-18(23)5-3-2-4-16-8-13-24-25-16/h6-7,14,16H,2-5,8-13H2,1H3,(H,20,23).
What are the key properties of 5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide?
5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide has a molecular weight of 380.58 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide is sourced from PubChem (CID 24646698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).