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

C15H13ClN2O4 — CID 2559556

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClN2O4/c1-21-12-5-3-2-4-11(12)15(20)22-9-14(19)18-13-7-6-10(16)8-17-13/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyKWKFLGNEMOWOGT-UHFFFAOYSA-N
MW320.73 g/mol
LogP2.54
Rot. Bonds5

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

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methoxybenzoate (PubChem CID 2559556) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methoxybenzoate
PubChem CID2559556
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClN2O4/c1-21-12-5-3-2-4-11(12)15(20)22-9-14(19)18-13-7-6-10(16)8-17-13/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyKWKFLGNEMOWOGT-UHFFFAOYSA-N
XLogP2.54
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methoxybenzoate (CID 2559556) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methoxybenzoate is COc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is KWKFLGNEMOWOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-21-12-5-3-2-4-11(12)15(20)22-9-14(19)18-13-7-6-10(16)8-17-13/h2-8H,9H2,1H3,(H,17,18,19).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methoxybenzoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 320.73 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methoxybenzoate is sourced from PubChem (CID 2559556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).