methyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate

C16H19N3O3 — CID 126817020

IUPACmethyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N2CC(C)OC(C3CC3)C2)c(C#N)n1
InChIInChI=1S/C16H19N3O3/c1-10-8-19(9-15(22-10)11-3-4-11)14-6-5-12(16(20)21-2)18-13(14)7-17/h5-6,10-11,15H,3-4,8-9H2,1-2H3
InChIKeyIEJNJSMGPDDZFL-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.74
Rot. Bonds3

About methyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate

methyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate (PubChem CID 126817020) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate
PubChem CID126817020
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namemethyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N2CC(C)OC(C3CC3)C2)c(C#N)n1
InChIInChI=1S/C16H19N3O3/c1-10-8-19(9-15(22-10)11-3-4-11)14-6-5-12(16(20)21-2)18-13(14)7-17/h5-6,10-11,15H,3-4,8-9H2,1-2H3
InChIKeyIEJNJSMGPDDZFL-UHFFFAOYSA-N
XLogP1.74
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate (CID 126817020) is methyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate is COC(=O)c1ccc(N2CC(C)OC(C3CC3)C2)c(C#N)n1.
What is the InChIKey of methyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate?
The InChIKey is IEJNJSMGPDDZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-8-19(9-15(22-10)11-3-4-11)14-6-5-12(16(20)21-2)18-13(14)7-17/h5-6,10-11,15H,3-4,8-9H2,1-2H3.
What are the key properties of methyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate?
methyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyano-5-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-2-carboxylate is sourced from PubChem (CID 126817020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).