methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate

C13H17N3O4 — CID 115538541

IUPACmethyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate
SMILESCNC(=O)c1cc(N2CCOC(C(=O)OC)C2)ccn1
InChIInChI=1S/C13H17N3O4/c1-14-12(17)10-7-9(3-4-15-10)16-5-6-20-11(8-16)13(18)19-2/h3-4,7,11H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyAPFFQSMJAUSUIG-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.18
Rot. Bonds3

About methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate

methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate (PubChem CID 115538541) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate
PubChem CID115538541
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Namemethyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate
SMILESCNC(=O)c1cc(N2CCOC(C(=O)OC)C2)ccn1
InChIInChI=1S/C13H17N3O4/c1-14-12(17)10-7-9(3-4-15-10)16-5-6-20-11(8-16)13(18)19-2/h3-4,7,11H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyAPFFQSMJAUSUIG-UHFFFAOYSA-N
XLogP-0.18
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-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 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate (CID 115538541) is methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate is CNC(=O)c1cc(N2CCOC(C(=O)OC)C2)ccn1.
What is the InChIKey of methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate?
The InChIKey is APFFQSMJAUSUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-14-12(17)10-7-9(3-4-15-10)16-5-6-20-11(8-16)13(18)19-2/h3-4,7,11H,5-6,8H2,1-2H3,(H,14,17).
What are the key properties of methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate?
methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate has a molecular weight of 279.30 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate is sourced from PubChem (CID 115538541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).