benzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate

C25H19NO4 — CID 67871551

IUPACbenzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate
SMILESCOc1nc(-c2ccc3ccccc3c2)ccc1C(=O)C(=O)OCc1ccccc1
InChIInChI=1S/C25H19NO4/c1-29-24-21(23(27)25(28)30-16-17-7-3-2-4-8-17)13-14-22(26-24)20-12-11-18-9-5-6-10-19(18)15-20/h2-15H,16H2,1H3
InChIKeyGCXUGZGQWSUDJQ-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.84
Rot. Bonds6

About benzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate

benzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate (PubChem CID 67871551) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is benzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate.

Molecular Properties

Compound Namebenzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate
PubChem CID67871551
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Namebenzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate
SMILESCOc1nc(-c2ccc3ccccc3c2)ccc1C(=O)C(=O)OCc1ccccc1
InChIInChI=1S/C25H19NO4/c1-29-24-21(23(27)25(28)30-16-17-7-3-2-4-8-17)13-14-22(26-24)20-12-11-18-9-5-6-10-19(18)15-20/h2-15H,16H2,1H3
InChIKeyGCXUGZGQWSUDJQ-UHFFFAOYSA-N
XLogP4.84
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

benzyl 2,2-difluoro-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate
CID 67870923
benzyl 2-naphthalen-2-yl-2-oxoacetate
CID 18370584
ethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate
CID 54373784
dibenzyl 2-(naphthalen-2-ylmethylidene)propanedioate
CID 164672547
benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate
CID 54235669
benzyl 2-methyl-3-(5-naphthalen-2-yl-1,3-thiazol-2-yl)-3-oxopropanoate
CID 166840163
dibenzyl 2-(3-methylbutylidene)propanedioate
CID 68653947
benzyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
CID 155220245
methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate
CID 67636313
benzyl 2-trimethylsilylprop-2-enoate
CID 14946722
benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid
CID 20537523
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate?
The IUPAC name of benzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate (CID 67871551) is benzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate.
What is the SMILES notation for benzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate?
The canonical SMILES for benzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate is COc1nc(-c2ccc3ccccc3c2)ccc1C(=O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate?
The InChIKey is GCXUGZGQWSUDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4/c1-29-24-21(23(27)25(28)30-16-17-7-3-2-4-8-17)13-14-22(26-24)20-12-11-18-9-5-6-10-19(18)15-20/h2-15H,16H2,1H3.
What are the key properties of benzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate?
benzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate has a molecular weight of 397.43 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate is sourced from PubChem (CID 67871551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).