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

C12H13FN2O5 — CID 63979190

IUPACmethyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1ccc(F)nc1
InChIInChI=1S/C12H13FN2O5/c1-19-10(16)6-15(7-11(17)20-2)12(18)8-3-4-9(13)14-5-8/h3-5H,6-7H2,1-2H3
InChIKeyPPGDBXKEMNWUGV-UHFFFAOYSA-N
MW284.24 g/mol
LogP0.01
Rot. Bonds5

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

methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 63979190) has the molecular formula C12H13FN2O5 and a molecular weight of 284.24 g/mol. Its IUPAC name is methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID63979190
Molecular FormulaC12H13FN2O5
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Namemethyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1ccc(F)nc1
InChIInChI=1S/C12H13FN2O5/c1-19-10(16)6-15(7-11(17)20-2)12(18)8-3-4-9(13)14-5-8/h3-5H,6-7H2,1-2H3
InChIKeyPPGDBXKEMNWUGV-UHFFFAOYSA-N
XLogP0.01
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate
CID 62952960
methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78962224
methyl 2-[ethyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 54979638
methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952978
6-fluoro-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 63979339
N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide
CID 63971968
6-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 63971210
N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 63978972
N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560
methyl 2-[methyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 43409840
N-[2-(dimethylamino)-2-oxoethyl]-6-fluoro-N-methylpyridine-3-carboxamide
CID 63971406
N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 63978805

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 63979190) is methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)c1ccc(F)nc1.
What is the InChIKey of methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is PPGDBXKEMNWUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O5/c1-19-10(16)6-15(7-11(17)20-2)12(18)8-3-4-9(13)14-5-8/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 284.24 g/mol, XLogP of 0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 63979190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).