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

C13H20N2O4 — CID 112588507

IUPACmethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OCCOC(C)(C)C)c1N
InChIInChI=1S/C13H20N2O4/c1-13(2,3)19-8-7-18-11-10(14)9(5-6-15-11)12(16)17-4/h5-6H,7-8,14H2,1-4H3
InChIKeyDKYDHNZPDJXUFP-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.64
Rot. Bonds5

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

methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate (PubChem CID 112588507) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
PubChem CID112588507
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OCCOC(C)(C)C)c1N
InChIInChI=1S/C13H20N2O4/c1-13(2,3)19-8-7-18-11-10(14)9(5-6-15-11)12(16)17-4/h5-6H,7-8,14H2,1-4H3
InChIKeyDKYDHNZPDJXUFP-UHFFFAOYSA-N
XLogP1.64
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.64
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

ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 115942367
methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate
CID 114157712
ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate
CID 106666343
methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 104765047
methyl 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoate
CID 112588482
methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate
CID 107713848
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285352
methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386110
methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate
CID 106900660
methyl 3-amino-2-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboxylate
CID 81346232
3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid
CID 106203425

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate (CID 112588507) is methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate is COC(=O)c1ccnc(OCCOC(C)(C)C)c1N.
What is the InChIKey of methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate?
The InChIKey is DKYDHNZPDJXUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-13(2,3)19-8-7-18-11-10(14)9(5-6-15-11)12(16)17-4/h5-6H,7-8,14H2,1-4H3.
What are the key properties of methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate?
methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate is sourced from PubChem (CID 112588507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).