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

C12H13N3O3 — CID 126482654

IUPACmethyl 5-cyano-3-morpholin-4-ylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C#N)cc1N1CCOCC1
InChIInChI=1S/C12H13N3O3/c1-17-12(16)11-10(6-9(7-13)8-14-11)15-2-4-18-5-3-15/h6,8H,2-5H2,1H3
InChIKeyQEVHMARLFBBLGX-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.58
Rot. Bonds2

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

methyl 5-cyano-3-morpholin-4-ylpyridine-2-carboxylate (PubChem CID 126482654) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 5-cyano-3-morpholin-4-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-3-morpholin-4-ylpyridine-2-carboxylate
PubChem CID126482654
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Namemethyl 5-cyano-3-morpholin-4-ylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C#N)cc1N1CCOCC1
InChIInChI=1S/C12H13N3O3/c1-17-12(16)11-10(6-9(7-13)8-14-11)15-2-4-18-5-3-15/h6,8H,2-5H2,1H3
InChIKeyQEVHMARLFBBLGX-UHFFFAOYSA-N
XLogP0.58
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-cyano-3-morpholin-4-ylpyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-3-morpholin-4-ylpyridine-2-carboxylate?
The IUPAC name of methyl 5-cyano-3-morpholin-4-ylpyridine-2-carboxylate (CID 126482654) is methyl 5-cyano-3-morpholin-4-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-cyano-3-morpholin-4-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-cyano-3-morpholin-4-ylpyridine-2-carboxylate is COC(=O)c1ncc(C#N)cc1N1CCOCC1.
What is the InChIKey of methyl 5-cyano-3-morpholin-4-ylpyridine-2-carboxylate?
The InChIKey is QEVHMARLFBBLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-17-12(16)11-10(6-9(7-13)8-14-11)15-2-4-18-5-3-15/h6,8H,2-5H2,1H3.
What are the key properties of methyl 5-cyano-3-morpholin-4-ylpyridine-2-carboxylate?
methyl 5-cyano-3-morpholin-4-ylpyridine-2-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-3-morpholin-4-ylpyridine-2-carboxylate is sourced from PubChem (CID 126482654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).