ethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate

C16H15ClN2O4 — CID 2801062

IUPACethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O4/c1-2-22-14(20)10-19-15(21)13-4-3-9-18-16(13)23-12-7-5-11(17)6-8-12/h3-9H,2,10H2,1H3,(H,19,21)
InChIKeyVQENMPXIFJASQX-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.82
Rot. Bonds6

About ethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate

ethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate (PubChem CID 2801062) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is ethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate
PubChem CID2801062
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Nameethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O4/c1-2-22-14(20)10-19-15(21)13-4-3-9-18-16(13)23-12-7-5-11(17)6-8-12/h3-9H,2,10H2,1H3,(H,19,21)
InChIKeyVQENMPXIFJASQX-UHFFFAOYSA-N
XLogP2.82
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Etofibrate
CID 65777
Ronifibrate
CID 68671
2-(4-Chlorophenoxy)nicotinamide
CID 2774902
TP-0463518
CID 73052863
Picafibrate
CID 68773
4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine
CID 153835401
2-(2,4-Dichlorophenoxy)-3-pyridinecarboxamide
CID 2727464
2-(3-Chlorophenoxy)nicotinamide
CID 1211466
2-(4-Chlorophenoxy)nicotinic acid
CID 609454
2-(4-chlorophenoxy)-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
CID 44586151
2-(4-chlorophenoxy)-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide
CID 44586152
2-(4-chlorophenoxy)-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
CID 44586153

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate (CID 2801062) is ethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1cccnc1Oc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate?
The InChIKey is VQENMPXIFJASQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-2-22-14(20)10-19-15(21)13-4-3-9-18-16(13)23-12-7-5-11(17)6-8-12/h3-9H,2,10H2,1H3,(H,19,21).
What are the key properties of ethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate?
ethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate has a molecular weight of 334.76 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]acetate is sourced from PubChem (CID 2801062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).