(2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate

C21H17NO3 — CID 46552586

IUPAC(2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C21H17NO3/c1-15-12-13-18(14-22-15)21(24)25-20(17-10-6-3-7-11-17)19(23)16-8-4-2-5-9-16/h2-14,20H,1H3
InChIKeyFXOKAEJZCMXPLD-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.17
Rot. Bonds5

About (2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate

(2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate (PubChem CID 46552586) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate
PubChem CID46552586
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name(2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C21H17NO3/c1-15-12-13-18(14-22-15)21(24)25-20(17-10-6-3-7-11-17)19(23)16-8-4-2-5-9-16/h2-14,20H,1H3
InChIKeyFXOKAEJZCMXPLD-UHFFFAOYSA-N
XLogP4.17
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18149699
[(1S)-2-oxo-1,2-diphenylethyl] 4-(dimethylamino)benzoate
CID 1296728
[(1R)-2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] pyridine-3-carboxylate
CID 887617
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18151710
(2-oxo-1,2-diphenylethyl) 3,4-dimethoxybenzoate
CID 19132863
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
(2-oxo-1,2-diphenylethyl) 3,4-dihydroxybenzoate
CID 23738197
(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920
[(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126189341
(2-oxo-1,2-diphenylethyl) 4-(trifluoromethoxy)benzoate
CID 4159962
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 2926237
[(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7547612

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate (CID 46552586) is (2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate is Cc1ccc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate?
The InChIKey is FXOKAEJZCMXPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-15-12-13-18(14-22-15)21(24)25-20(17-10-6-3-7-11-17)19(23)16-8-4-2-5-9-16/h2-14,20H,1H3.
What are the key properties of (2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate?
(2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 46552586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).