methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate

C13H16N2O5 — CID 62952960

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1ccc(C)nc1
InChIInChI=1S/C13H16N2O5/c1-9-4-5-10(6-14-9)13(18)15(7-11(16)19-2)8-12(17)20-3/h4-6H,7-8H2,1-3H3
InChIKeyCKMSSGJJOSQGEC-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.18
Rot. Bonds5

About methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate (PubChem CID 62952960) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate
PubChem CID62952960
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1ccc(C)nc1
InChIInChI=1S/C13H16N2O5/c1-9-4-5-10(6-14-9)13(18)15(7-11(16)19-2)8-12(17)20-3/h4-6H,7-8H2,1-3H3
InChIKeyCKMSSGJJOSQGEC-UHFFFAOYSA-N
XLogP0.18
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[ethyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 54979638
methyl 2-[methyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 43409840
methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63979190
methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 80709959
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365
methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952978
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 138999191
methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate
CID 55005855
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 76929152
N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone
CID 159365691
2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid
CID 60830074
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate (CID 62952960) is methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)c1ccc(C)nc1.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate?
The InChIKey is CKMSSGJJOSQGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-9-4-5-10(6-14-9)13(18)15(7-11(16)19-2)8-12(17)20-3/h4-6H,7-8H2,1-3H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate has a molecular weight of 280.28 g/mol, XLogP of 0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 62952960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).