ethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate

C23H23NO3 — CID 70704129

IUPACethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cc2ccccc2)n(Cc2ccccc2)c(C)cc1=O
InChIInChI=1S/C23H23NO3/c1-3-27-23(26)22-20(15-18-10-6-4-7-11-18)24(17(2)14-21(22)25)16-19-12-8-5-9-13-19/h4-14H,3,15-16H2,1-2H3
InChIKeyWCHNTUMQGKVYOO-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.97
Rot. Bonds6

About ethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate

ethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate (PubChem CID 70704129) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is ethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate
PubChem CID70704129
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Nameethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cc2ccccc2)n(Cc2ccccc2)c(C)cc1=O
InChIInChI=1S/C23H23NO3/c1-3-27-23(26)22-20(15-18-10-6-4-7-11-18)24(17(2)14-21(22)25)16-19-12-8-5-9-13-19/h4-14H,3,15-16H2,1-2H3
InChIKeyWCHNTUMQGKVYOO-UHFFFAOYSA-N
XLogP3.97
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate (CID 70704129) is ethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate is CCOC(=O)c1c(Cc2ccccc2)n(Cc2ccccc2)c(C)cc1=O.
What is the InChIKey of ethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate?
The InChIKey is WCHNTUMQGKVYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-3-27-23(26)22-20(15-18-10-6-4-7-11-18)24(17(2)14-21(22)25)16-19-12-8-5-9-13-19/h4-14H,3,15-16H2,1-2H3.
What are the key properties of ethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate?
ethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-dibenzyl-6-methyl-4-oxopyridine-3-carboxylate is sourced from PubChem (CID 70704129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).