2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine

C20H20N2 — CID 10565311

IUPAC2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine
SMILESC(#Cc1ccccn1)CCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H20N2/c1-2-8-18(9-3-1)19-12-16-22(17-13-19)15-7-5-11-20-10-4-6-14-21-20/h1-4,6,8-10,12,14H,7,13,15-17H2
InChIKeyODQASWLALUMZKF-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.61
Rot. Bonds3

About 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine

2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine (PubChem CID 10565311) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine.

Molecular Properties

Compound Name2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine
PubChem CID10565311
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine
SMILESC(#Cc1ccccn1)CCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H20N2/c1-2-8-18(9-3-1)19-12-16-22(17-13-19)15-7-5-11-20-10-4-6-14-21-20/h1-4,6,8-10,12,14H,7,13,15-17H2
InChIKeyODQASWLALUMZKF-UHFFFAOYSA-N
XLogP3.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine?
The IUPAC name of 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine (CID 10565311) is 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine.
What is the SMILES notation for 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine?
The canonical SMILES for 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine is C(#Cc1ccccn1)CCN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine?
The InChIKey is ODQASWLALUMZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-2-8-18(9-3-1)19-12-16-22(17-13-19)15-7-5-11-20-10-4-6-14-21-20/h1-4,6,8-10,12,14H,7,13,15-17H2.
What are the key properties of 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine?
2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine has a molecular weight of 288.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridine is sourced from PubChem (CID 10565311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).