[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate

C16H20N4O4 — CID 18198826

IUPAC[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C16H20N4O4/c1-5-23-15-12(7-6-8-17-15)16(22)24-9-13(21)18-14-10(2)19-20(4)11(14)3/h6-8H,5,9H2,1-4H3,(H,18,21)
InChIKeyWJOQICCXZSYKIX-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.63
Rot. Bonds6

About [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 18198826) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID18198826
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C16H20N4O4/c1-5-23-15-12(7-6-8-17-15)16(22)24-9-13(21)18-14-10(2)19-20(4)11(14)3/h6-8H,5,9H2,1-4H3,(H,18,21)
InChIKeyWJOQICCXZSYKIX-UHFFFAOYSA-N
XLogP1.63
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2359410
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate
CID 7701427
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497957
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497885
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2545117
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 55315049
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2344631
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497740
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497980
(2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate
CID 7998156
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-acetylthiophene-2-carboxylate
CID 18123295
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497678

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate (CID 18198826) is [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is WJOQICCXZSYKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-5-23-15-12(7-6-8-17-15)16(22)24-9-13(21)18-14-10(2)19-20(4)11(14)3/h6-8H,5,9H2,1-4H3,(H,18,21).
What are the key properties of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate?
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 18198826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).