[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate

C19H20N2O4 — CID 7433921

IUPAC[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccccn2)cc1
InChIInChI=1S/C19H20N2O4/c1-19(2,3)18(24)21-14-9-7-13(8-10-14)16(22)12-25-17(23)15-6-4-5-11-20-15/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyZRUOZHCMUCYHRM-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.11
Rot. Bonds5

About [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate

[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 7433921) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate
PubChem CID7433921
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccccn2)cc1
InChIInChI=1S/C19H20N2O4/c1-19(2,3)18(24)21-14-9-7-13(8-10-14)16(22)12-25-17(23)15-6-4-5-11-20-15/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyZRUOZHCMUCYHRM-UHFFFAOYSA-N
XLogP3.11
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate (CID 7433921) is [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate is CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccccn2)cc1.
What is the InChIKey of [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is ZRUOZHCMUCYHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-19(2,3)18(24)21-14-9-7-13(8-10-14)16(22)12-25-17(23)15-6-4-5-11-20-15/h4-11H,12H2,1-3H3,(H,21,24).
What are the key properties of [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate?
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 7433921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).