5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine

C15H17N3 — CID 57124859

IUPAC5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine
SMILESC1=CCC(C2=NCC=CC2C2=NCC=CC2)=NC1
InChIInChI=1S/C15H17N3/c1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14/h1-6,12H,7-11H2
InChIKeyXGKDZABXYYEXRD-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.42
Rot. Bonds2

About 5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine

5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine (PubChem CID 57124859) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine.

Molecular Properties

Compound Name5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine
PubChem CID57124859
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine
SMILESC1=CCC(C2=NCC=CC2C2=NCC=CC2)=NC1
InChIInChI=1S/C15H17N3/c1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14/h1-6,12H,7-11H2
InChIKeyXGKDZABXYYEXRD-UHFFFAOYSA-N
XLogP2.42
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dicyclohexyl-2,5-dihydropyridine
CID 54505284
1,2,6,7,10,10b-Hexahydrophenanthridine
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CID 57154891
1,2,3,4,6,7,8,10b-Octahydrophenanthridine
CID 57323299
7-cyclohexyl-2H-azepine
CID 69835043
2,4a,5,6-Tetrahydroquinoline
CID 70148575
2,4a,7,8-Tetrahydroquinoline
CID 90750149
(5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine
CID 90785170
2,4a,5,8-Tetrahydroquinoline
CID 90920243
2,4a,5,6,7,8-Hexahydroquinoline
CID 91181113
4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine
CID 91277880
4-butyl-N-methylcyclohex-2-en-1-imine
CID 91428157

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine?
The IUPAC name of 5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine (CID 57124859) is 5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine.
What is the SMILES notation for 5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine?
The canonical SMILES for 5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine is C1=CCC(C2=NCC=CC2C2=NCC=CC2)=NC1.
What is the InChIKey of 5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine?
The InChIKey is XGKDZABXYYEXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14/h1-6,12H,7-11H2.
What are the key properties of 5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine?
5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine has a molecular weight of 239.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine is sourced from PubChem (CID 57124859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).