(2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate

C17H16N2O5 — CID 7998156

IUPAC(2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O5/c1-2-23-16-13(9-6-10-18-16)17(22)24-11-14(20)19-15(21)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,19,20,21)
InChIKeyWBUKMDBZYSJICV-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.59
Rot. Bonds6

About (2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate

(2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate (PubChem CID 7998156) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate
PubChem CID7998156
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name(2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O5/c1-2-23-16-13(9-6-10-18-16)17(22)24-11-14(20)19-15(21)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,19,20,21)
InChIKeyWBUKMDBZYSJICV-UHFFFAOYSA-N
XLogP1.59
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2359410
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497957
benzyl 2-ethoxypyridine-3-carboxylate
CID 2369615
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2545117
(2-benzamido-2-oxoethyl) 2-chlorobenzoate
CID 2624247
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497980
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497885
(2-benzamido-2-oxoethyl) pyridine-3-carboxylate
CID 9413804
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497740
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497721
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 18198826
(2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate
CID 7416144

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate (CID 7998156) is (2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate?
The InChIKey is WBUKMDBZYSJICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-2-23-16-13(9-6-10-18-16)17(22)24-11-14(20)19-15(21)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,19,20,21).
What are the key properties of (2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate?
(2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate has a molecular weight of 328.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 7998156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).