2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine

C19H21NO3 — CID 18182425

IUPAC2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine
SMILESCOCOc1ccc(C2=CCOCC2)nc1Cc1ccccc1
InChIInChI=1S/C19H21NO3/c1-21-14-23-19-8-7-17(16-9-11-22-12-10-16)20-18(19)13-15-5-3-2-4-6-15/h2-9H,10-14H2,1H3
InChIKeyWGBOIGIDSPJFPS-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.46
Rot. Bonds6

About 2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine

2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine (PubChem CID 18182425) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine.

Molecular Properties

Compound Name2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine
PubChem CID18182425
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine
SMILESCOCOc1ccc(C2=CCOCC2)nc1Cc1ccccc1
InChIInChI=1S/C19H21NO3/c1-21-14-23-19-8-7-17(16-9-11-22-12-10-16)20-18(19)13-15-5-3-2-4-6-15/h2-9H,10-14H2,1H3
InChIKeyWGBOIGIDSPJFPS-UHFFFAOYSA-N
XLogP3.46
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)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-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine?
The IUPAC name of 2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine (CID 18182425) is 2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine.
What is the SMILES notation for 2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine?
The canonical SMILES for 2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine is COCOc1ccc(C2=CCOCC2)nc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine?
The InChIKey is WGBOIGIDSPJFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-21-14-23-19-8-7-17(16-9-11-22-12-10-16)20-18(19)13-15-5-3-2-4-6-15/h2-9H,10-14H2,1H3.
What are the key properties of 2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine?
2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine has a molecular weight of 311.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine is sourced from PubChem (CID 18182425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).