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

C17H14ClN3O4 — CID 16533864

IUPAC[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
SMILESCC(OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H14ClN3O4/c1-11(17(23)21-15-7-4-13(18)9-20-15)25-16(22)10-24-14-5-2-12(8-19)3-6-14/h2-7,9,11H,10H2,1H3,(H,20,21,23)
InChIKeyOYYQLYDFDHZKOX-UHFFFAOYSA-N
MW359.77 g/mol
LogP2.56
Rot. Bonds6

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

[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate (PubChem CID 16533864) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
PubChem CID16533864
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
SMILESCC(OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H14ClN3O4/c1-11(17(23)21-15-7-4-13(18)9-20-15)25-16(22)10-24-14-5-2-12(8-19)3-6-14/h2-7,9,11H,10H2,1H3,(H,20,21,23)
InChIKeyOYYQLYDFDHZKOX-UHFFFAOYSA-N
XLogP2.56
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 52.56
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-cyanophenoxy)acetate?
The IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate (CID 16533864) is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate is CC(OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate?
The InChIKey is OYYQLYDFDHZKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c1-11(17(23)21-15-7-4-13(18)9-20-15)25-16(22)10-24-14-5-2-12(8-19)3-6-14/h2-7,9,11H,10H2,1H3,(H,20,21,23).
What are the key properties of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate?
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate has a molecular weight of 359.77 g/mol, XLogP of 2.56, 6 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-cyanophenoxy)acetate is sourced from PubChem (CID 16533864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).