2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate

C15H16N2O4 — CID 81312356

IUPAC2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate
SMILESCOc1ccc(OCCOC(=O)c2ccc(N)cn2)cc1
InChIInChI=1S/C15H16N2O4/c1-19-12-3-5-13(6-4-12)20-8-9-21-15(18)14-7-2-11(16)10-17-14/h2-7,10H,8-9,16H2,1H3
InChIKeyZKPJSXPCPCCDJM-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.91
Rot. Bonds6

About 2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate

2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate (PubChem CID 81312356) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate
PubChem CID81312356
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate
SMILESCOc1ccc(OCCOC(=O)c2ccc(N)cn2)cc1
InChIInChI=1S/C15H16N2O4/c1-19-12-3-5-13(6-4-12)20-8-9-21-15(18)14-7-2-11(16)10-17-14/h2-7,10H,8-9,16H2,1H3
InChIKeyZKPJSXPCPCCDJM-UHFFFAOYSA-N
XLogP1.91
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butyl 5-aminopyridine-2-carboxylate
CID 81315833
2-methylsulfonylethyl 5-aminopyridine-2-carboxylate
CID 81316375
2-phenylethyl 5-aminopyridine-2-carboxylate
CID 81316626
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 81320128
5-hydroxypentyl 5-aminopyridine-2-carboxylate
CID 81315730
6-hydroxyhexyl 5-aminopyridine-2-carboxylate
CID 104934318
[3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate
CID 81315855
2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate
CID 167892651
(2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81317382
methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate
CID 66665588
(5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone
CID 116605219
2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate
CID 81099710

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate (CID 81312356) is 2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate is COc1ccc(OCCOC(=O)c2ccc(N)cn2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate?
The InChIKey is ZKPJSXPCPCCDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-19-12-3-5-13(6-4-12)20-8-9-21-15(18)14-7-2-11(16)10-17-14/h2-7,10H,8-9,16H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate?
2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81312356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).