2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine

C23H26N2 — CID 159060805

IUPAC2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine
SMILESCCCCC#Cc1ccc(Cc2ccc(C#CCCCC)nc2)cn1
InChIInChI=1S/C23H26N2/c1-3-5-7-9-11-22-15-13-20(18-24-22)17-21-14-16-23(25-19-21)12-10-8-6-4-2/h13-16,18-19H,3-8,17H2,1-2H3
InChIKeyJYLCOYODIMJWMV-UHFFFAOYSA-N
MW330.48 g/mol
LogP5.15
Rot. Bonds6

About 2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine

2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine (PubChem CID 159060805) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine.

Molecular Properties

Compound Name2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine
PubChem CID159060805
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine
SMILESCCCCC#Cc1ccc(Cc2ccc(C#CCCCC)nc2)cn1
InChIInChI=1S/C23H26N2/c1-3-5-7-9-11-22-15-13-20(18-24-22)17-21-14-16-23(25-19-21)12-10-8-6-4-2/h13-16,18-19H,3-8,17H2,1-2H3
InChIKeyJYLCOYODIMJWMV-UHFFFAOYSA-N
XLogP5.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oct-1-ynylpyridine
CID 12931148
2-[2-(4-butylphenyl)ethynyl]-5-hexylpyridine
CID 19985049
5-octyl-2-[2-(4-propylphenyl)ethynyl]pyridine
CID 19984715
N-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine
CID 71102164
(4-hex-1-ynylphenyl)methanol
CID 101212882
2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine
CID 19983934
5-butyl-2-[2-(4-hexoxyphenyl)ethynyl]pyridine
CID 19984218
2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine
CID 19984964
N-methyl-1-(6-prop-1-ynyl-3-pyridinyl)methanamine
CID 123647524
N-[2-[4-[2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]ethynyl]phenyl]ethyl]-N-propylpropan-1-amine;ethane
CID 142889946
ethyl 2-[(6-dodec-1-ynyl-3-pyridinyl)methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoacetate
CID 67187465
4-[2-(4-hex-1-ynylphenyl)ethyl]benzenethiol
CID 173376467

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine?
The IUPAC name of 2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine (CID 159060805) is 2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine.
What is the SMILES notation for 2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine?
The canonical SMILES for 2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine is CCCCC#Cc1ccc(Cc2ccc(C#CCCCC)nc2)cn1.
What is the InChIKey of 2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine?
The InChIKey is JYLCOYODIMJWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-3-5-7-9-11-22-15-13-20(18-24-22)17-21-14-16-23(25-19-21)12-10-8-6-4-2/h13-16,18-19H,3-8,17H2,1-2H3.
What are the key properties of 2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine?
2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine has a molecular weight of 330.48 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine is sourced from PubChem (CID 159060805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).