[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate

C14H11Cl2N3O5 — CID 2485105

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1nc(Cl)ccc1Cl)NC(=O)NCc1ccco1
InChIInChI=1S/C14H11Cl2N3O5/c15-9-3-4-10(16)18-12(9)13(21)24-7-11(20)19-14(22)17-6-8-2-1-5-23-8/h1-5H,6-7H2,(H2,17,19,20,22)
InChIKeyDOLGWSQGTFXVCG-UHFFFAOYSA-N
MW372.16 g/mol
LogP2.16
Rot. Bonds5

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate (PubChem CID 2485105) has the molecular formula C14H11Cl2N3O5 and a molecular weight of 372.16 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
PubChem CID2485105
Molecular FormulaC14H11Cl2N3O5
Molecular Weight372.16 g/mol
Exact Mass371.01
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1nc(Cl)ccc1Cl)NC(=O)NCc1ccco1
InChIInChI=1S/C14H11Cl2N3O5/c15-9-3-4-10(16)18-12(9)13(21)24-7-11(20)19-14(22)17-6-8-2-1-5-23-8/h1-5H,6-7H2,(H2,17,19,20,22)
InChIKeyDOLGWSQGTFXVCG-UHFFFAOYSA-N
XLogP2.16
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-(benzylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 2485082
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2488908
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2500997
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8511046
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413781
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193785
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504373
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631789
2-(5-chloroquinolin-8-yl)oxy-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8716331
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate
CID 7949805

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate (CID 2485105) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate is O=C(COC(=O)c1nc(Cl)ccc1Cl)NC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The InChIKey is DOLGWSQGTFXVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O5/c15-9-3-4-10(16)18-12(9)13(21)24-7-11(20)19-14(22)17-6-8-2-1-5-23-8/h1-5H,6-7H2,(H2,17,19,20,22).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate has a molecular weight of 372.16 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate is sourced from PubChem (CID 2485105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).