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

C15H13ClN2O4 — CID 2545000

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H13ClN2O4/c1-21-12-5-2-10(3-6-12)15(20)22-9-14(19)18-13-7-4-11(16)8-17-13/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyXXQAPUGENKIGTF-UHFFFAOYSA-N
MW320.73 g/mol
LogP2.54
Rot. Bonds5

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

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-methoxybenzoate (PubChem CID 2545000) 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] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-methoxybenzoate
PubChem CID2545000
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H13ClN2O4/c1-21-12-5-2-10(3-6-12)15(20)22-9-14(19)18-13-7-4-11(16)8-17-13/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyXXQAPUGENKIGTF-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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Related Compounds

1-(5-Chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6-methoxyphenyl)ethyl]urea
CID 475283
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2554738
5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)-2-furamide
CID 725940
4-ethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 803159
N-(5-chloropyridin-2-yl)-4-phenoxybenzamide
CID 830775
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 2129011
[2-[(3,5-Dichloropyridin-2-yl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 2375549
[2-[(3,5-Dichloropyridin-2-yl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2375578
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 2544883
2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl 2-furoate
CID 2586389
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-acetamidobenzoate
CID 2636191

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-methoxybenzoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-methoxybenzoate (CID 2545000) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-methoxybenzoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-methoxybenzoate?
The InChIKey is XXQAPUGENKIGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-21-12-5-2-10(3-6-12)15(20)22-9-14(19)18-13-7-4-11(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] 4-methoxybenzoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-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] 4-methoxybenzoate is sourced from PubChem (CID 2545000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).