[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate

C14H19N3O5 — CID 2467378

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NC(=O)NC(C)C
InChIInChI=1S/C14H19N3O5/c1-4-21-12-10(6-5-7-15-12)13(19)22-8-11(18)17-14(20)16-9(2)3/h5-7,9H,4,8H2,1-3H3,(H2,16,17,18,20)
InChIKeyCZXDVKLIFUUWAI-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.87
Rot. Bonds6

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2467378) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2467378
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NC(=O)NC(C)C
InChIInChI=1S/C14H19N3O5/c1-4-21-12-10(6-5-7-15-12)13(19)22-8-11(18)17-14(20)16-9(2)3/h5-7,9H,4,8H2,1-3H3,(H2,16,17,18,20)
InChIKeyCZXDVKLIFUUWAI-UHFFFAOYSA-N
XLogP0.87
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate (CID 2467378) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)NC(=O)NC(C)C.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is CZXDVKLIFUUWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-4-21-12-10(6-5-7-15-12)13(19)22-8-11(18)17-14(20)16-9(2)3/h5-7,9H,4,8H2,1-3H3,(H2,16,17,18,20).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2467378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).