2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine

C24H14N4 — CID 10570370

IUPAC2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine
SMILESC(C#Cc1ccc(-c2ccccn2)nc1)#Cc1ccc(-c2ccccn2)nc1
InChIInChI=1S/C24H14N4/c1(7-19-11-13-23(27-17-19)21-9-3-5-15-25-21)2-8-20-12-14-24(28-18-20)22-10-4-6-16-26-22/h3-6,9-18H
InChIKeyYGJXNFQUDXCDDQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.00
Rot. Bonds2

About 2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine

2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine (PubChem CID 10570370) has the molecular formula C24H14N4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine
PubChem CID10570370
Molecular FormulaC24H14N4
Molecular Weight358.40 g/mol
Exact Mass358.12
IUPAC Name2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine
SMILESC(C#Cc1ccc(-c2ccccn2)nc1)#Cc1ccc(-c2ccccn2)nc1
InChIInChI=1S/C24H14N4/c1(7-19-11-13-23(27-17-19)21-9-3-5-15-25-21)2-8-20-12-14-24(28-18-20)22-10-4-6-16-26-22/h3-6,9-18H
InChIKeyYGJXNFQUDXCDDQ-UHFFFAOYSA-N
XLogP4.00
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine?
The IUPAC name of 2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine (CID 10570370) is 2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine?
The canonical SMILES for 2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine is C(C#Cc1ccc(-c2ccccn2)nc1)#Cc1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine?
The InChIKey is YGJXNFQUDXCDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4/c1(7-19-11-13-23(27-17-19)21-9-3-5-15-25-21)2-8-20-12-14-24(28-18-20)22-10-4-6-16-26-22/h3-6,9-18H.
What are the key properties of 2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine?
2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine has a molecular weight of 358.40 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-[4-(6-pyridin-2-yl-3-pyridinyl)buta-1,3-diynyl]pyridine is sourced from PubChem (CID 10570370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).