ethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate

C25H23NO2 — CID 71508598

IUPACethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCCOC(=O)C1=CN(Cc2cccc3ccccc23)C=CC1c1ccccc1
InChIInChI=1S/C25H23NO2/c1-2-28-25(27)24-18-26(16-15-23(24)20-9-4-3-5-10-20)17-21-13-8-12-19-11-6-7-14-22(19)21/h3-16,18,23H,2,17H2,1H3
InChIKeySLYQGFXLZVKYDN-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.40
Rot. Bonds5

About ethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate

ethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate (PubChem CID 71508598) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate
PubChem CID71508598
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Nameethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCCOC(=O)C1=CN(Cc2cccc3ccccc23)C=CC1c1ccccc1
InChIInChI=1S/C25H23NO2/c1-2-28-25(27)24-18-26(16-15-23(24)20-9-4-3-5-10-20)17-21-13-8-12-19-11-6-7-14-22(19)21/h3-16,18,23H,2,17H2,1H3
InChIKeySLYQGFXLZVKYDN-UHFFFAOYSA-N
XLogP5.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate (CID 71508598) is ethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate is CCOC(=O)C1=CN(Cc2cccc3ccccc23)C=CC1c1ccccc1.
What is the InChIKey of ethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate?
The InChIKey is SLYQGFXLZVKYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-2-28-25(27)24-18-26(16-15-23(24)20-9-4-3-5-10-20)17-21-13-8-12-19-11-6-7-14-22(19)21/h3-16,18,23H,2,17H2,1H3.
What are the key properties of ethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate?
ethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate has a molecular weight of 369.46 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 71508598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).