methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate

C14H18N2O4 — CID 79806162

IUPACmethyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cncc(C)c2)CCO1
InChIInChI=1S/C14H18N2O4/c1-10-5-11(8-15-7-10)14(18)16-3-4-20-12(9-16)6-13(17)19-2/h5,7-8,12H,3-4,6,9H2,1-2H3
InChIKeyHQBYXRDDZDMYRL-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.79
Rot. Bonds3

About methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate

methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate (PubChem CID 79806162) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate
PubChem CID79806162
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cncc(C)c2)CCO1
InChIInChI=1S/C14H18N2O4/c1-10-5-11(8-15-7-10)14(18)16-3-4-20-12(9-16)6-13(17)19-2/h5,7-8,12H,3-4,6,9H2,1-2H3
InChIKeyHQBYXRDDZDMYRL-UHFFFAOYSA-N
XLogP0.79
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240
methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate
CID 79035757
methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79812705
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
CID 115535924
methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
methyl 2-[4-(3-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534948
[2-(hydroxymethyl)morpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203428
methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate
CID 103842120
methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate
CID 113330663
methyl 2-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 115679286

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate (CID 79806162) is methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)c2cncc(C)c2)CCO1.
What is the InChIKey of methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate?
The InChIKey is HQBYXRDDZDMYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-5-11(8-15-7-10)14(18)16-3-4-20-12(9-16)6-13(17)19-2/h5,7-8,12H,3-4,6,9H2,1-2H3.
What are the key properties of methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate?
methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate has a molecular weight of 278.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79806162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).