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

C13H14Cl2N2O3 — CID 8019939

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O3/c14-9-5-10(15)12(16-6-9)17-11(18)7-20-13(19)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,16,17,18)
InChIKeyILNFKMCZDNGCMF-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.06
Rot. Bonds4

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

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 8019939) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate
PubChem CID8019939
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O3/c14-9-5-10(15)12(16-6-9)17-11(18)7-20-13(19)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,16,17,18)
InChIKeyILNFKMCZDNGCMF-UHFFFAOYSA-N
XLogP3.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate
CID 2084415
[2-[(3,5-Dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate
CID 2093970
[2-[(3,5-Dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 3557293
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 4656575
[1-[(3,5-Dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 16299377
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methylcyclopropane-1-carboxylate
CID 16302001
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate
CID 2477493
[2-[(3,5-Dichloropyridin-2-yl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate
CID 4220339
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4855756
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2084275
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 2085057
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 3258599

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate (CID 8019939) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate is O=C(COC(=O)C1CCCC1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is ILNFKMCZDNGCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-9-5-10(15)12(16-6-9)17-11(18)7-20-13(19)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,16,17,18).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 317.17 g/mol, XLogP of 3.06, 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] cyclopentanecarboxylate is sourced from PubChem (CID 8019939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).