[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate

C15H19ClN2O3 — CID 16523091

IUPAC[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate
SMILESCC(OC(=O)CC1CCCC1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H19ClN2O3/c1-10(21-14(19)8-11-4-2-3-5-11)15(20)18-13-7-6-12(16)9-17-13/h6-7,9-11H,2-5,8H2,1H3,(H,17,18,20)
InChIKeyFJYYFPZTCJWZKP-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.19
Rot. Bonds5

About [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate

[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate (PubChem CID 16523091) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate
PubChem CID16523091
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate
SMILESCC(OC(=O)CC1CCCC1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H19ClN2O3/c1-10(21-14(19)8-11-4-2-3-5-11)15(20)18-13-7-6-12(16)9-17-13/h6-7,9-11H,2-5,8H2,1H3,(H,17,18,20)
InChIKeyFJYYFPZTCJWZKP-UHFFFAOYSA-N
XLogP3.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate?
The IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate (CID 16523091) is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate.
What is the SMILES notation for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate?
The canonical SMILES for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate is CC(OC(=O)CC1CCCC1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate?
The InChIKey is FJYYFPZTCJWZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10(21-14(19)8-11-4-2-3-5-11)15(20)18-13-7-6-12(16)9-17-13/h6-7,9-11H,2-5,8H2,1H3,(H,17,18,20).
What are the key properties of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate?
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate has a molecular weight of 310.78 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate is sourced from PubChem (CID 16523091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).