3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine

C24H21NO2 — CID 24896569

IUPAC3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
SMILESCOc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C24H21NO2/c1-26-22-8-5-17(6-9-22)12-21-13-20-14-23(27-2)10-7-18(20)15-24(21)19-4-3-11-25-16-19/h3-11,13-16H,12H2,1-2H3
InChIKeyVQUARJCMNGAQJX-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.51
Rot. Bonds5

About 3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine

3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine (PubChem CID 24896569) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
PubChem CID24896569
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
SMILESCOc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C24H21NO2/c1-26-22-8-5-17(6-9-22)12-21-13-20-14-23(27-2)10-7-18(20)15-24(21)19-4-3-11-25-16-19/h3-11,13-16H,12H2,1-2H3
InChIKeyVQUARJCMNGAQJX-UHFFFAOYSA-N
XLogP5.51
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 ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
The IUPAC name of 3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine (CID 24896569) is 3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine.
What is the SMILES notation for 3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
The canonical SMILES for 3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine is COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cccnc2)cc1.
What is the InChIKey of 3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
The InChIKey is VQUARJCMNGAQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-26-22-8-5-17(6-9-22)12-21-13-20-14-23(27-2)10-7-18(20)15-24(21)19-4-3-11-25-16-19/h3-11,13-16H,12H2,1-2H3.
What are the key properties of 3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine has a molecular weight of 355.44 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine is sourced from PubChem (CID 24896569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).