[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

C16H15ClN2O5 — CID 2590310

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H15ClN2O5/c1-22-12-3-5-13(6-4-12)23-10-16(21)24-9-15(20)19-14-7-2-11(17)8-18-14/h2-8H,9-10H2,1H3,(H,18,19,20)
InChIKeyAUJGFOVTBBCUNU-UHFFFAOYSA-N
MW350.76 g/mol
LogP2.30
Rot. Bonds7

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 2590310) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
PubChem CID2590310
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H15ClN2O5/c1-22-12-3-5-13(6-4-12)23-10-16(21)24-9-15(20)19-14-7-2-11(17)8-18-14/h2-8H,9-10H2,1H3,(H,18,19,20)
InChIKeyAUJGFOVTBBCUNU-UHFFFAOYSA-N
XLogP2.30
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7210203
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2128296
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide
CID 34135089
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6064785
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 46794045
N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide
CID 34134941
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23818620
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4210410
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 41463972
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846854
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (CID 2590310) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is AUJGFOVTBBCUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-22-12-3-5-13(6-4-12)23-10-16(21)24-9-15(20)19-14-7-2-11(17)8-18-14/h2-8H,9-10H2,1H3,(H,18,19,20).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 350.76 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 2590310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).