[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate

C14H17ClN2O3 — CID 2114735

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate
SMILESO=C(COC(=O)CC1CCCC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H17ClN2O3/c15-11-5-6-12(16-8-11)17-13(18)9-20-14(19)7-10-3-1-2-4-10/h5-6,8,10H,1-4,7,9H2,(H,16,17,18)
InChIKeyXKGUVADTOCCCKK-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.80
Rot. Bonds5

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 2114735) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate
PubChem CID2114735
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate
SMILESO=C(COC(=O)CC1CCCC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H17ClN2O3/c15-11-5-6-12(16-8-11)17-13(18)9-20-14(19)7-10-3-1-2-4-10/h5-6,8,10H,1-4,7,9H2,(H,16,17,18)
InChIKeyXKGUVADTOCCCKK-UHFFFAOYSA-N
XLogP2.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate (CID 2114735) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate is O=C(COC(=O)CC1CCCC1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is XKGUVADTOCCCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-11-5-6-12(16-8-11)17-13(18)9-20-14(19)7-10-3-1-2-4-10/h5-6,8,10H,1-4,7,9H2,(H,16,17,18).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 296.75 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 2114735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).