[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate

C17H15N5O4S — CID 55522584

IUPAC[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(-n2cccn2)nc1)NC(=O)NCc1cccs1
InChIInChI=1S/C17H15N5O4S/c23-15(21-17(25)19-10-13-3-1-8-27-13)11-26-16(24)12-4-5-14(18-9-12)22-7-2-6-20-22/h1-9H,10-11H2,(H2,19,21,23,25)
InChIKeyYQKCJNUTYUEWGM-UHFFFAOYSA-N
MW385.41 g/mol
LogP1.51
Rot. Bonds6

About [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate

[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate (PubChem CID 55522584) has the molecular formula C17H15N5O4S and a molecular weight of 385.41 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
PubChem CID55522584
Molecular FormulaC17H15N5O4S
Molecular Weight385.41 g/mol
Exact Mass385.08
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(-n2cccn2)nc1)NC(=O)NCc1cccs1
InChIInChI=1S/C17H15N5O4S/c23-15(21-17(25)19-10-13-3-1-8-27-13)11-26-16(24)12-4-5-14(18-9-12)22-7-2-6-20-22/h1-9H,10-11H2,(H2,19,21,23,25)
InChIKeyYQKCJNUTYUEWGM-UHFFFAOYSA-N
XLogP1.51
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55522760
1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea
CID 47040725
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-pyrazol-1-ylbenzoate
CID 8956273
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate
CID 9473606
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 55445341
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(pyrrolidin-1-ylmethyl)benzoate
CID 9473607
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55522398
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate
CID 18166865
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55521972
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55540936
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-chloro-3-methylsulfonylbenzoate
CID 27270268
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 18166861

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate (CID 55522584) is [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate is O=C(COC(=O)c1ccc(-n2cccn2)nc1)NC(=O)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
The InChIKey is YQKCJNUTYUEWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4S/c23-15(21-17(25)19-10-13-3-1-8-27-13)11-26-16(24)12-4-5-14(18-9-12)22-7-2-6-20-22/h1-9H,10-11H2,(H2,19,21,23,25).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate has a molecular weight of 385.41 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 55522584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).