methyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate

C24H19NO3 — CID 69045076

IUPACmethyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cc2ccccc2-c2cccc3ccccc23)[nH]c1=O
InChIInChI=1S/C24H19NO3/c1-28-24(27)22-14-13-18(25-23(22)26)15-17-8-3-5-11-20(17)21-12-6-9-16-7-2-4-10-19(16)21/h2-14H,15H2,1H3,(H,25,26)
InChIKeyBEWBRBRMIUZVIY-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.57
Rot. Bonds4

About methyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate

methyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 69045076) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
PubChem CID69045076
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Namemethyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cc2ccccc2-c2cccc3ccccc23)[nH]c1=O
InChIInChI=1S/C24H19NO3/c1-28-24(27)22-14-13-18(25-23(22)26)15-17-8-3-5-11-20(17)21-12-6-9-16-7-2-4-10-19(16)21/h2-14H,15H2,1H3,(H,25,26)
InChIKeyBEWBRBRMIUZVIY-UHFFFAOYSA-N
XLogP4.57
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-fluoro-2-naphthalen-1-ylbenzoate
CID 141376687
ethane;methyl 5-bromo-2-naphthalen-1-ylbenzoate
CID 144844652
methyl 6-(2,2-dimethylpropyl)-2-oxo-1H-pyridine-3-carboxylate
CID 23455346
methyl 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
CID 691292
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate
CID 139645771
methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate
CID 8764296
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 15856844
methyl 4-fluoro-3-naphthalen-1-ylbenzoate
CID 75488354

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate (CID 69045076) is methyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate is COC(=O)c1ccc(Cc2ccccc2-c2cccc3ccccc23)[nH]c1=O.
What is the InChIKey of methyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is BEWBRBRMIUZVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-28-24(27)22-14-13-18(25-23(22)26)15-17-8-3-5-11-20(17)21-12-6-9-16-7-2-4-10-19(16)21/h2-14H,15H2,1H3,(H,25,26).
What are the key properties of methyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
methyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-naphthalen-1-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 69045076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).