methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate

C17H20N2O3 — CID 70243352

IUPACmethyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(CC(C)(C)N)cc2)nc1
InChIInChI=1S/C17H20N2O3/c1-17(2,18)10-12-4-7-14(8-5-12)22-15-9-6-13(11-19-15)16(20)21-3/h4-9,11H,10,18H2,1-3H3
InChIKeyJEKFQQCLYLRSTG-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.94
Rot. Bonds5

About methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate

methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate (PubChem CID 70243352) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate
PubChem CID70243352
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(CC(C)(C)N)cc2)nc1
InChIInChI=1S/C17H20N2O3/c1-17(2,18)10-12-4-7-14(8-5-12)22-15-9-6-13(11-19-15)16(20)21-3/h4-9,11H,10,18H2,1-3H3
InChIKeyJEKFQQCLYLRSTG-UHFFFAOYSA-N
XLogP2.94
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(4-methylphenoxy)pyridine-3-carboxylate
CID 123190451
methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate
CID 138986702
methyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 147220326
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599
ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate
CID 106486678
ethyl 4-[4-(2-amino-2-methylpropyl)phenoxy]benzoate
CID 22147767
N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119625868
ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
CID 130434959
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
6-[4-[2-methyl-2-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68746672
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate (CID 70243352) is methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate is COC(=O)c1ccc(Oc2ccc(CC(C)(C)N)cc2)nc1.
What is the InChIKey of methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate?
The InChIKey is JEKFQQCLYLRSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-17(2,18)10-12-4-7-14(8-5-12)22-15-9-6-13(11-19-15)16(20)21-3/h4-9,11H,10,18H2,1-3H3.
What are the key properties of methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate?
methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 70243352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).