3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine

C24H21NO2 — CID 25131169

IUPAC3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
SMILESCOc1ccc(C(OC)c2cc3ccccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C24H21NO2/c1-26-21-11-9-17(10-12-21)24(27-2)23-15-19-7-4-3-6-18(19)14-22(23)20-8-5-13-25-16-20/h3-16,24H,1-2H3
InChIKeyXIGFQMNUIQRGSS-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.65
Rot. Bonds5

About 3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine

3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine (PubChem CID 25131169) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
PubChem CID25131169
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
SMILESCOc1ccc(C(OC)c2cc3ccccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C24H21NO2/c1-26-21-11-9-17(10-12-21)24(27-2)23-15-19-7-4-3-6-18(19)14-22(23)20-8-5-13-25-16-20/h3-16,24H,1-2H3
InChIKeyXIGFQMNUIQRGSS-UHFFFAOYSA-N
XLogP5.65
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
The IUPAC name of 3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine (CID 25131169) is 3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine.
What is the SMILES notation for 3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
The canonical SMILES for 3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine is COc1ccc(C(OC)c2cc3ccccc3cc2-c2cccnc2)cc1.
What is the InChIKey of 3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
The InChIKey is XIGFQMNUIQRGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-26-21-11-9-17(10-12-21)24(27-2)23-15-19-7-4-3-6-18(19)14-22(23)20-8-5-13-25-16-20/h3-16,24H,1-2H3.
What are the key properties of 3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine has a molecular weight of 355.44 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methoxy-(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine is sourced from PubChem (CID 25131169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).