methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate

C13H17FN2O4 — CID 78962224

IUPACmethyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1ccc(F)nc1
InChIInChI=1S/C13H17FN2O4/c1-19-8-7-16(6-5-12(17)20-2)13(18)10-3-4-11(14)15-9-10/h3-4,9H,5-8H2,1-2H3
InChIKeyQRESHBCICHTDQS-UHFFFAOYSA-N
MW284.29 g/mol
LogP0.87
Rot. Bonds7

About methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate (PubChem CID 78962224) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate
PubChem CID78962224
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Namemethyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1ccc(F)nc1
InChIInChI=1S/C13H17FN2O4/c1-19-8-7-16(6-5-12(17)20-2)13(18)10-3-4-11(14)15-9-10/h3-4,9H,5-8H2,1-2H3
InChIKeyQRESHBCICHTDQS-UHFFFAOYSA-N
XLogP0.87
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 63978805
methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63979190
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
methyl 3-[(3,4-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103957103
methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78959076
methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78959056
methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115745885
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507
methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78958878
methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate
CID 78959965
methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate
CID 78959009
methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate
CID 78959070

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate (CID 78962224) is methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)c1ccc(F)nc1.
What is the InChIKey of methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is QRESHBCICHTDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-19-8-7-16(6-5-12(17)20-2)13(18)10-3-4-11(14)15-9-10/h3-4,9H,5-8H2,1-2H3.
What are the key properties of methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 284.29 g/mol, XLogP of 0.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78962224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).