2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine

C21H19NO — CID 102051053

IUPAC2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine
SMILESCOCC#CC1C=CC=C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C21H19NO/c1-23-17-9-15-20-14-8-16-21(18-10-4-2-5-11-18)22(20)19-12-6-3-7-13-19/h2-8,10-14,16,20H,17H2,1H3
InChIKeyNWMIVHOMKDWESH-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.12
Rot. Bonds3

About 2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine

2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine (PubChem CID 102051053) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine.

Molecular Properties

Compound Name2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine
PubChem CID102051053
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine
SMILESCOCC#CC1C=CC=C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C21H19NO/c1-23-17-9-15-20-14-8-16-21(18-10-4-2-5-11-18)22(20)19-12-6-3-7-13-19/h2-8,10-14,16,20H,17H2,1H3
InChIKeyNWMIVHOMKDWESH-UHFFFAOYSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine?
The IUPAC name of 2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine (CID 102051053) is 2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine.
What is the SMILES notation for 2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine?
The canonical SMILES for 2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine is COCC#CC1C=CC=C(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine?
The InChIKey is NWMIVHOMKDWESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-23-17-9-15-20-14-8-16-21(18-10-4-2-5-11-18)22(20)19-12-6-3-7-13-19/h2-8,10-14,16,20H,17H2,1H3.
What are the key properties of 2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine?
2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine has a molecular weight of 301.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyprop-1-ynyl)-1,6-diphenyl-2H-pyridine is sourced from PubChem (CID 102051053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).