[2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C17H17N3O5 — CID 2363932

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H17N3O5/c1-2-24-16-13(4-3-9-19-16)17(23)25-10-14(21)20-12-7-5-11(6-8-12)15(18)22/h3-9H,2,10H2,1H3,(H2,18,22)(H,20,21)
InChIKeyAPKVTBBQYOYTSN-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.37
Rot. Bonds7

About [2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2363932) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2363932
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H17N3O5/c1-2-24-16-13(4-3-9-19-16)17(23)25-10-14(21)20-12-7-5-11(6-8-12)15(18)22/h3-9H,2,10H2,1H3,(H2,18,22)(H,20,21)
InChIKeyAPKVTBBQYOYTSN-UHFFFAOYSA-N
XLogP1.37
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 2363932) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is APKVTBBQYOYTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-2-24-16-13(4-3-9-19-16)17(23)25-10-14(21)20-12-7-5-11(6-8-12)15(18)22/h3-9H,2,10H2,1H3,(H2,18,22)(H,20,21).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2363932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).