ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate

C14H22N2O4 — CID 115942367

IUPACethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(OCCOC(C)(C)C)c1N
InChIInChI=1S/C14H22N2O4/c1-5-18-13(17)10-6-7-16-12(11(10)15)19-8-9-20-14(2,3)4/h6-7H,5,8-9,15H2,1-4H3
InChIKeyGTWXWNBQTCDBJX-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.03
Rot. Bonds6

About ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate

ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate (PubChem CID 115942367) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
PubChem CID115942367
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(OCCOC(C)(C)C)c1N
InChIInChI=1S/C14H22N2O4/c1-5-18-13(17)10-6-7-16-12(11(10)15)19-8-9-20-14(2,3)4/h6-7H,5,8-9,15H2,1-4H3
InChIKeyGTWXWNBQTCDBJX-UHFFFAOYSA-N
XLogP2.03
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.03
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

methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 112588507
ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate
CID 106666343
ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate
CID 82006675
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
CID 118704253
ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285351
ethyl 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoate
CID 115942374
methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate
CID 114157712
ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386492
ethyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311482
ethyl 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]pyrimidine-5-carboxylate
CID 115596148
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate (CID 115942367) is ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate is CCOC(=O)c1ccnc(OCCOC(C)(C)C)c1N.
What is the InChIKey of ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate?
The InChIKey is GTWXWNBQTCDBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-18-13(17)10-6-7-16-12(11(10)15)19-8-9-20-14(2,3)4/h6-7H,5,8-9,15H2,1-4H3.
What are the key properties of ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate?
ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate is sourced from PubChem (CID 115942367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).