ethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate

C24H25NO3 — CID 70704128

IUPACethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cc2ccccc2)n(CCc2ccccc2)c(C)cc1=O
InChIInChI=1S/C24H25NO3/c1-3-28-24(27)23-21(17-20-12-8-5-9-13-20)25(18(2)16-22(23)26)15-14-19-10-6-4-7-11-19/h4-13,16H,3,14-15,17H2,1-2H3
InChIKeyJMPFBCUMJNHDJN-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.17
Rot. Bonds7

About ethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate

ethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate (PubChem CID 70704128) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate
PubChem CID70704128
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Nameethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cc2ccccc2)n(CCc2ccccc2)c(C)cc1=O
InChIInChI=1S/C24H25NO3/c1-3-28-24(27)23-21(17-20-12-8-5-9-13-20)25(18(2)16-22(23)26)15-14-19-10-6-4-7-11-19/h4-13,16H,3,14-15,17H2,1-2H3
InChIKeyJMPFBCUMJNHDJN-UHFFFAOYSA-N
XLogP4.17
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate (CID 70704128) is ethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate is CCOC(=O)c1c(Cc2ccccc2)n(CCc2ccccc2)c(C)cc1=O.
What is the InChIKey of ethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate?
The InChIKey is JMPFBCUMJNHDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-3-28-24(27)23-21(17-20-12-8-5-9-13-20)25(18(2)16-22(23)26)15-14-19-10-6-4-7-11-19/h4-13,16H,3,14-15,17H2,1-2H3.
What are the key properties of ethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate?
ethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylate is sourced from PubChem (CID 70704128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).