benzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate

C26H21NO3 — CID 56598066

IUPACbenzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate
SMILESO=C(OCc1ccccc1)c1c(-c2ccccc2)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C26H21NO3/c28-25-24(26(29)30-19-21-12-6-2-7-13-21)23(22-14-8-3-9-15-22)16-17-27(25)18-20-10-4-1-5-11-20/h1-17H,18-19H2
InChIKeyWUZFTMHFCMMMII-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.92
Rot. Bonds6

About benzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate

benzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate (PubChem CID 56598066) has the molecular formula C26H21NO3 and a molecular weight of 395.46 g/mol. Its IUPAC name is benzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate
PubChem CID56598066
Molecular FormulaC26H21NO3
Molecular Weight395.46 g/mol
Exact Mass395.15
IUPAC Namebenzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate
SMILESO=C(OCc1ccccc1)c1c(-c2ccccc2)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C26H21NO3/c28-25-24(26(29)30-19-21-12-6-2-7-13-21)23(22-14-8-3-9-15-22)16-17-27(25)18-20-10-4-1-5-11-20/h1-17H,18-19H2
InChIKeyWUZFTMHFCMMMII-UHFFFAOYSA-N
XLogP4.92
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate?
The IUPAC name of benzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate (CID 56598066) is benzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate.
What is the SMILES notation for benzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate?
The canonical SMILES for benzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate is O=C(OCc1ccccc1)c1c(-c2ccccc2)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of benzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate?
The InChIKey is WUZFTMHFCMMMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO3/c28-25-24(26(29)30-19-21-12-6-2-7-13-21)23(22-14-8-3-9-15-22)16-17-27(25)18-20-10-4-1-5-11-20/h1-17H,18-19H2.
What are the key properties of benzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate?
benzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate is sourced from PubChem (CID 56598066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).