methyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate

C13H15N3O3 — CID 2769087

IUPACmethyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(N2CCOCC2)nc1C
InChIInChI=1S/C13H15N3O3/c1-9-11(13(17)18-2)7-10(8-14)12(15-9)16-3-5-19-6-4-16/h7H,3-6H2,1-2H3
InChIKeyULQVKYLKUQLTFE-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.88
Rot. Bonds2

About methyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate

methyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 2769087) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate
PubChem CID2769087
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(N2CCOCC2)nc1C
InChIInChI=1S/C13H15N3O3/c1-9-11(13(17)18-2)7-10(8-14)12(15-9)16-3-5-19-6-4-16/h7H,3-6H2,1-2H3
InChIKeyULQVKYLKUQLTFE-UHFFFAOYSA-N
XLogP0.88
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of methyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate (CID 2769087) is methyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate is COC(=O)c1cc(C#N)c(N2CCOCC2)nc1C.
What is the InChIKey of methyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is ULQVKYLKUQLTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-11(13(17)18-2)7-10(8-14)12(15-9)16-3-5-19-6-4-16/h7H,3-6H2,1-2H3.
What are the key properties of methyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate?
methyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-2-methyl-6-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 2769087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).