methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate

C13H16N2O4 — CID 79035757

IUPACmethyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cncc(C)c2)CCO1
InChIInChI=1S/C13H16N2O4/c1-9-5-10(7-14-6-9)12(16)15-3-4-19-11(8-15)13(17)18-2/h5-7,11H,3-4,8H2,1-2H3
InChIKeyXANHRAZTSCWQHS-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.40
Rot. Bonds2

About methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate

methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate (PubChem CID 79035757) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate
PubChem CID79035757
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cncc(C)c2)CCO1
InChIInChI=1S/C13H16N2O4/c1-9-5-10(7-14-6-9)12(16)15-3-4-19-11(8-15)13(17)18-2/h5-7,11H,3-4,8H2,1-2H3
InChIKeyXANHRAZTSCWQHS-UHFFFAOYSA-N
XLogP0.40
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(5-methylpyridine-3-carbonyl)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

Related Compounds

methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771
methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806162
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701
methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate
CID 107075785
methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate
CID 113330652
methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
CID 115533204
methyl 4-[3-(chloromethyl)benzoyl]morpholine-2-carboxylate
CID 115534248
(4-methylmorpholin-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 115374040
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate
CID 78926646
methyl 4-(5-bromo-2-chloropyridine-3-carbonyl)morpholine-2-carboxylate
CID 78926720

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate (CID 79035757) is methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)c2cncc(C)c2)CCO1.
What is the InChIKey of methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate?
The InChIKey is XANHRAZTSCWQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9-5-10(7-14-6-9)12(16)15-3-4-19-11(8-15)13(17)18-2/h5-7,11H,3-4,8H2,1-2H3.
What are the key properties of methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate?
methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate is sourced from PubChem (CID 79035757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).