[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate

C18H19NO3 — CID 7783733

IUPAC[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate
SMILESCc1cc(C(=O)COC(=O)c2ccncc2)c(C)c(C)c1C
InChIInChI=1S/C18H19NO3/c1-11-9-16(14(4)13(3)12(11)2)17(20)10-22-18(21)15-5-7-19-8-6-15/h5-9H,10H2,1-4H3
InChIKeyHGZLRFBEIXQYAR-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.35
Rot. Bonds4

About [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate (PubChem CID 7783733) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate
PubChem CID7783733
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate
SMILESCc1cc(C(=O)COC(=O)c2ccncc2)c(C)c(C)c1C
InChIInChI=1S/C18H19NO3/c1-11-9-16(14(4)13(3)12(11)2)17(20)10-22-18(21)15-5-7-19-8-6-15/h5-9H,10H2,1-4H3
InChIKeyHGZLRFBEIXQYAR-UHFFFAOYSA-N
XLogP3.35
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate
CID 7776976
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate
CID 7776240
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate
CID 18268152
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate
CID 42984534
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765097
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 27011600
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-bromofuran-2-carboxylate
CID 8014088
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate
CID 2624699
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7967540
[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] pyridine-4-carboxylate
CID 7783681
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate
CID 18290127
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 882281

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate?
The IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate (CID 7783733) is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate is Cc1cc(C(=O)COC(=O)c2ccncc2)c(C)c(C)c1C.
What is the InChIKey of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate?
The InChIKey is HGZLRFBEIXQYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-9-16(14(4)13(3)12(11)2)17(20)10-22-18(21)15-5-7-19-8-6-15/h5-9H,10H2,1-4H3.
What are the key properties of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate?
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate is sourced from PubChem (CID 7783733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).