4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine

C18H22N2S — CID 15166845

IUPAC4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine
SMILESC1=C(c2cccs2)CCN(CCCCc2ccncc2)C1
InChIInChI=1S/C18H22N2S/c1(4-16-6-10-19-11-7-16)2-12-20-13-8-17(9-14-20)18-5-3-15-21-18/h3,5-8,10-11,15H,1-2,4,9,12-14H2
InChIKeyFXHUAMJZVUMXSB-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.26
Rot. Bonds6

About 4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine

4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine (PubChem CID 15166845) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine.

Molecular Properties

Compound Name4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine
PubChem CID15166845
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC Name4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine
SMILESC1=C(c2cccs2)CCN(CCCCc2ccncc2)C1
InChIInChI=1S/C18H22N2S/c1(4-16-6-10-19-11-7-16)2-12-20-13-8-17(9-14-20)18-5-3-15-21-18/h3,5-8,10-11,15H,1-2,4,9,12-14H2
InChIKeyFXHUAMJZVUMXSB-UHFFFAOYSA-N
XLogP4.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine?
The IUPAC name of 4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine (CID 15166845) is 4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine.
What is the SMILES notation for 4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine?
The canonical SMILES for 4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine is C1=C(c2cccs2)CCN(CCCCc2ccncc2)C1.
What is the InChIKey of 4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine?
The InChIKey is FXHUAMJZVUMXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1(4-16-6-10-19-11-7-16)2-12-20-13-8-17(9-14-20)18-5-3-15-21-18/h3,5-8,10-11,15H,1-2,4,9,12-14H2.
What are the key properties of 4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine?
4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine has a molecular weight of 298.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine is sourced from PubChem (CID 15166845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).