ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate

C19H20N2O5 — CID 108755554

IUPACethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate
SMILESC=CCOc1ccccc1OCC(=O)Nc1cc(C(=O)OCC)ccn1
InChIInChI=1S/C19H20N2O5/c1-3-11-25-15-7-5-6-8-16(15)26-13-18(22)21-17-12-14(9-10-20-17)19(23)24-4-2/h3,5-10,12H,1,4,11,13H2,2H3,(H,20,21,22)
InChIKeyYFPLSCIFGZAFNL-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.84
Rot. Bonds9

About ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate

ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate (PubChem CID 108755554) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate
PubChem CID108755554
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Nameethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate
SMILESC=CCOc1ccccc1OCC(=O)Nc1cc(C(=O)OCC)ccn1
InChIInChI=1S/C19H20N2O5/c1-3-11-25-15-7-5-6-8-16(15)26-13-18(22)21-17-12-14(9-10-20-17)19(23)24-4-2/h3,5-10,12H,1,4,11,13H2,2H3,(H,20,21,22)
InChIKeyYFPLSCIFGZAFNL-UHFFFAOYSA-N
XLogP2.84
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate
CID 108755549
ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
CID 108731992
ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
CID 108755443
ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954
ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424
ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate
CID 108773574
ethyl 3-amino-4-prop-2-enoxybenzoate
CID 82057340
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108771284
ethyl 1-(4-methylquinolin-2-yl)-5-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyrazole-4-carboxylate
CID 108769638
methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 7840872
ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate
CID 108755461
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate (CID 108755554) is ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate is C=CCOc1ccccc1OCC(=O)Nc1cc(C(=O)OCC)ccn1.
What is the InChIKey of ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate?
The InChIKey is YFPLSCIFGZAFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-3-11-25-15-7-5-6-8-16(15)26-13-18(22)21-17-12-14(9-10-20-17)19(23)24-4-2/h3,5-10,12H,1,4,11,13H2,2H3,(H,20,21,22).
What are the key properties of ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate?
ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 108755554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).