methyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate

C15H19N3O3 — CID 2769100

IUPACmethyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(N2CC(C)OC(C)C2)nc1C
InChIInChI=1S/C15H19N3O3/c1-9-7-18(8-10(2)21-9)14-12(6-16)5-13(11(3)17-14)15(19)20-4/h5,9-10H,7-8H2,1-4H3
InChIKeyAEVIIKRPBZKPEE-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.66
Rot. Bonds2

About methyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate

methyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate (PubChem CID 2769100) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate
PubChem CID2769100
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Namemethyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(N2CC(C)OC(C)C2)nc1C
InChIInChI=1S/C15H19N3O3/c1-9-7-18(8-10(2)21-9)14-12(6-16)5-13(11(3)17-14)15(19)20-4/h5,9-10H,7-8H2,1-4H3
InChIKeyAEVIIKRPBZKPEE-UHFFFAOYSA-N
XLogP1.66
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate (CID 2769100) is methyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate is COC(=O)c1cc(C#N)c(N2CC(C)OC(C)C2)nc1C.
What is the InChIKey of methyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate?
The InChIKey is AEVIIKRPBZKPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-7-18(8-10(2)21-9)14-12(6-16)5-13(11(3)17-14)15(19)20-4/h5,9-10H,7-8H2,1-4H3.
What are the key properties of methyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate?
methyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 2769100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).