methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate

C13H16N2O5 — CID 115610744

IUPACmethyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccc(C)[nH]c2=O)CCO1
InChIInChI=1S/C13H16N2O5/c1-8-3-4-9(11(16)14-8)12(17)15-5-6-20-10(7-15)13(18)19-2/h3-4,10H,5-7H2,1-2H3,(H,14,16)
InChIKeyYWYNOXZJIALAAO-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.30
Rot. Bonds2

About methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate

methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate (PubChem CID 115610744) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate
PubChem CID115610744
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Namemethyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccc(C)[nH]c2=O)CCO1
InChIInChI=1S/C13H16N2O5/c1-8-3-4-9(11(16)14-8)12(17)15-5-6-20-10(7-15)13(18)19-2/h3-4,10H,5-7H2,1-2H3,(H,14,16)
InChIKeyYWYNOXZJIALAAO-UHFFFAOYSA-N
XLogP-0.30
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 115679286
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701
2-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 115731600
methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
CID 115584285
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate
CID 115533203
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-2-carboxylate
CID 115533238
methyl 4-(2-amino-5-bromobenzoyl)morpholine-2-carboxylate
CID 115534989
methyl 4-(2-hydroxy-3,5-diiodobenzoyl)morpholine-2-carboxylate
CID 115535816
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976185
methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate
CID 113330652

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate (CID 115610744) is methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)c2ccc(C)[nH]c2=O)CCO1.
What is the InChIKey of methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate?
The InChIKey is YWYNOXZJIALAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8-3-4-9(11(16)14-8)12(17)15-5-6-20-10(7-15)13(18)19-2/h3-4,10H,5-7H2,1-2H3,(H,14,16).
What are the key properties of methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate?
methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate has a molecular weight of 280.28 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate is sourced from PubChem (CID 115610744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).