methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol

C20H28N2O5 — CID 68550824

IUPACmethyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol
SMILESCC(C)Oc1ccc(CO)nc1.COC(=O)Cc1ccc(OC(C)C)cn1
InChIInChI=1S/C11H15NO3.C9H13NO2/c1-8(2)15-10-5-4-9(12-7-10)6-11(13)14-3;1-7(2)12-9-4-3-8(6-11)10-5-9/h4-5,7-8H,6H2,1-3H3;3-5,7,11H,6H2,1-2H3
InChIKeyDKZYEEWIOPMPGK-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.95
Rot. Bonds7

About methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol

methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol (PubChem CID 68550824) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol.

Molecular Properties

Compound Namemethyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol
PubChem CID68550824
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Namemethyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol
SMILESCC(C)Oc1ccc(CO)nc1.COC(=O)Cc1ccc(OC(C)C)cn1
InChIInChI=1S/C11H15NO3.C9H13NO2/c1-8(2)15-10-5-4-9(12-7-10)6-11(13)14-3;1-7(2)12-9-4-3-8(6-11)10-5-9/h4-5,7-8H,6H2,1-3H3;3-5,7,11H,6H2,1-2H3
InChIKeyDKZYEEWIOPMPGK-UHFFFAOYSA-N
XLogP2.95
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-methylpropanamide
CID 79799827
N-carbamoyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79799924
methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate
CID 170640549
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate
CID 79800630
N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79800191
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide
CID 79799543
6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide
CID 67865997
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-prop-2-enylpropanamide
CID 79794355
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]butanoate
CID 79800006
methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate
CID 82552006
1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one
CID 79800104
methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate
CID 170337554

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol?
The IUPAC name of methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol (CID 68550824) is methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol.
What is the SMILES notation for methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol?
The canonical SMILES for methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol is CC(C)Oc1ccc(CO)nc1.COC(=O)Cc1ccc(OC(C)C)cn1.
What is the InChIKey of methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol?
The InChIKey is DKZYEEWIOPMPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.C9H13NO2/c1-8(2)15-10-5-4-9(12-7-10)6-11(13)14-3;1-7(2)12-9-4-3-8(6-11)10-5-9/h4-5,7-8H,6H2,1-3H3;3-5,7,11H,6H2,1-2H3.
What are the key properties of methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol?
methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol has a molecular weight of 376.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol is sourced from PubChem (CID 68550824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).