[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate

C18H19ClN2O5 — CID 16507495

IUPAC[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OC(C)C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C18H19ClN2O5/c1-3-24-14-5-7-15(8-6-14)25-11-17(22)26-12(2)18(23)21-16-9-4-13(19)10-20-16/h4-10,12H,3,11H2,1-2H3,(H,20,21,23)
InChIKeyADWPFCINVKNCGK-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.08
Rot. Bonds8

About [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate

[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate (PubChem CID 16507495) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
PubChem CID16507495
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OC(C)C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C18H19ClN2O5/c1-3-24-14-5-7-15(8-6-14)25-11-17(22)26-12(2)18(23)21-16-9-4-13(19)10-20-16/h4-10,12H,3,11H2,1-2H3,(H,20,21,23)
InChIKeyADWPFCINVKNCGK-UHFFFAOYSA-N
XLogP3.08
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate?
The IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate (CID 16507495) is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate.
What is the SMILES notation for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate?
The canonical SMILES for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate is CCOc1ccc(OCC(=O)OC(C)C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate?
The InChIKey is ADWPFCINVKNCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-3-24-14-5-7-15(8-6-14)25-11-17(22)26-12(2)18(23)21-16-9-4-13(19)10-20-16/h4-10,12H,3,11H2,1-2H3,(H,20,21,23).
What are the key properties of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate?
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate has a molecular weight of 378.81 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate is sourced from PubChem (CID 16507495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).