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

C18H19NO3 — CID 7776240

IUPAC[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate
SMILESCc1cc(C(=O)COC(=O)c2ccccn2)c(C)c(C)c1C
InChIInChI=1S/C18H19NO3/c1-11-9-15(14(4)13(3)12(11)2)17(20)10-22-18(21)16-7-5-6-8-19-16/h5-9H,10H2,1-4H3
InChIKeyPBEHBWCVSLSNFG-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.35
Rot. Bonds4

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

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate (PubChem CID 7776240) 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-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate
PubChem CID7776240
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate
SMILESCc1cc(C(=O)COC(=O)c2ccccn2)c(C)c(C)c1C
InChIInChI=1S/C18H19NO3/c1-11-9-15(14(4)13(3)12(11)2)17(20)10-22-18(21)16-7-5-6-8-19-16/h5-9H,10H2,1-4H3
InChIKeyPBEHBWCVSLSNFG-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] 2-methylsulfanylpyridine-3-carboxylate
CID 8765097
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate
CID 7783733
ethyl pyridine-2-carboxylate
CID 17307
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate
CID 18268152
[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] pyridine-2-carboxylate
CID 7477490
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate
CID 7776976
[2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
CID 7866588
[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] pyridine-2-carboxylate
CID 3630921
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate
CID 42984534
[2-[1-(4-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] pyridine-2-carboxylate
CID 2624548
[2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-oxoethyl] pyridine-2-carboxylate
CID 7776708
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 22829690

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate (CID 7776240) is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate is Cc1cc(C(=O)COC(=O)c2ccccn2)c(C)c(C)c1C.
What is the InChIKey of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate?
The InChIKey is PBEHBWCVSLSNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-9-15(14(4)13(3)12(11)2)17(20)10-22-18(21)16-7-5-6-8-19-16/h5-9H,10H2,1-4H3.
What are the key properties of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate?
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-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-2-carboxylate is sourced from PubChem (CID 7776240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).