methyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate

C13H20N2O3 — CID 114074900

IUPACmethyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OCC(C)(C)N(C)C)c1
InChIInChI=1S/C13H20N2O3/c1-13(2,15(3)4)9-18-11-8-10(6-7-14-11)12(16)17-5/h6-8H,9H2,1-5H3
InChIKeyJZQOIBNYECZREI-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.59
Rot. Bonds5

About methyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate

methyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate (PubChem CID 114074900) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate
PubChem CID114074900
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Namemethyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OCC(C)(C)N(C)C)c1
InChIInChI=1S/C13H20N2O3/c1-13(2,15(3)4)9-18-11-8-10(6-7-14-11)12(16)17-5/h6-8H,9H2,1-5H3
InChIKeyJZQOIBNYECZREI-UHFFFAOYSA-N
XLogP1.59
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate (CID 114074900) is methyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate is COC(=O)c1ccnc(OCC(C)(C)N(C)C)c1.
What is the InChIKey of methyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate?
The InChIKey is JZQOIBNYECZREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,15(3)4)9-18-11-8-10(6-7-14-11)12(16)17-5/h6-8H,9H2,1-5H3.
What are the key properties of methyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate?
methyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate is sourced from PubChem (CID 114074900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).