[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate

C12H12Cl2N2O3 — CID 24686077

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O3/c13-8-4-9(14)11(15-5-8)16-10(17)6-19-12(18)7-2-1-3-7/h4-5,7H,1-3,6H2,(H,15,16,17)
InChIKeyXIKVYGNGVIUJGP-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.67
Rot. Bonds4

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 24686077) has the molecular formula C12H12Cl2N2O3 and a molecular weight of 303.14 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate
PubChem CID24686077
Molecular FormulaC12H12Cl2N2O3
Molecular Weight303.14 g/mol
Exact Mass302.02
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O3/c13-8-4-9(14)11(15-5-8)16-10(17)6-19-12(18)7-2-1-3-7/h4-5,7H,1-3,6H2,(H,15,16,17)
InChIKeyXIKVYGNGVIUJGP-UHFFFAOYSA-N
XLogP2.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate (CID 24686077) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate is O=C(COC(=O)C1CCC1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is XIKVYGNGVIUJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3/c13-8-4-9(14)11(15-5-8)16-10(17)6-19-12(18)7-2-1-3-7/h4-5,7H,1-3,6H2,(H,15,16,17).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 303.14 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 24686077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).