ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate

C16H14Cl2N2O4 — CID 108755549

IUPACethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O4/c1-2-23-16(22)10-5-6-19-14(7-10)20-15(21)9-24-13-8-11(17)3-4-12(13)18/h3-8H,2,9H2,1H3,(H,19,20,21)
InChIKeyJDODSZAFEYNLAS-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.58
Rot. Bonds6

About ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate

ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate (PubChem CID 108755549) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate
PubChem CID108755549
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Nameethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O4/c1-2-23-16(22)10-5-6-19-14(7-10)20-15(21)9-24-13-8-11(17)3-4-12(13)18/h3-8H,2,9H2,1H3,(H,19,20,21)
InChIKeyJDODSZAFEYNLAS-UHFFFAOYSA-N
XLogP3.58
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate
CID 108755554
ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
CID 108731992
ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
CID 108755506
propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 7185050
ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate
CID 108773601
ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1107603
2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 19169315
ethyl 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 5254135
ethyl 4-(2,5-dichlorophenoxy)-3-oxobutanoate
CID 60644149
dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 4804810
N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 724281
2-(2,5-dichlorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 17445480

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate (CID 108755549) is ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC(=O)COc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate?
The InChIKey is JDODSZAFEYNLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c1-2-23-16(22)10-5-6-19-14(7-10)20-15(21)9-24-13-8-11(17)3-4-12(13)18/h3-8H,2,9H2,1H3,(H,19,20,21).
What are the key properties of ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate?
ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate has a molecular weight of 369.20 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 108755549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).