methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate

C13H15N3O3 — CID 104774583

IUPACmethyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1nc(C)ccc1C#N
InChIInChI=1S/C13H15N3O3/c1-9-3-4-10(7-14)12(15-9)16-5-6-19-8-11(16)13(17)18-2/h3-4,11H,5-6,8H2,1-2H3
InChIKeyPOSUIEDGXOBGKC-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.64
Rot. Bonds2

About methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate

methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate (PubChem CID 104774583) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate
PubChem CID104774583
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1nc(C)ccc1C#N
InChIInChI=1S/C13H15N3O3/c1-9-3-4-10(7-14)12(15-9)16-5-6-19-8-11(16)13(17)18-2/h3-4,11H,5-6,8H2,1-2H3
InChIKeyPOSUIEDGXOBGKC-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-(4-cyano-3-fluorophenyl)morpholine-3-carboxylate
CID 104774602
methyl 4-(3-methylpyrazin-2-yl)morpholine-3-carboxylate
CID 104775194
6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166291681
methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate
CID 104774614
4-(4-cyanopyridazin-3-yl)morpholine-3-carboxamide
CID 83102200
methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121
methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate
CID 104775122
methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate
CID 104775304
methyl 4-phthalazin-1-ylmorpholine-3-carboxylate
CID 104775256
4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83097290
4-(3-amino-6-methyl-2-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106140
methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate
CID 104775148

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate (CID 104774583) is methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate is COC(=O)C1COCCN1c1nc(C)ccc1C#N.
What is the InChIKey of methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate?
The InChIKey is POSUIEDGXOBGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-3-4-10(7-14)12(15-9)16-5-6-19-8-11(16)13(17)18-2/h3-4,11H,5-6,8H2,1-2H3.
What are the key properties of methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate?
methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate is sourced from PubChem (CID 104774583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).