ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate

C13H17FN2O4 — CID 115497491

IUPACethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O4/c1-3-20-12(17)9-16(7-8-19-2)13(18)10-5-4-6-11(14)15-10/h4-6H,3,7-9H2,1-2H3
InChIKeyAUQZZXMLMPGQKW-UHFFFAOYSA-N
MW284.29 g/mol
LogP0.87
Rot. Bonds7

About ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate

ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate (PubChem CID 115497491) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate
PubChem CID115497491
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Nameethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O4/c1-3-20-12(17)9-16(7-8-19-2)13(18)10-5-4-6-11(14)15-10/h4-6H,3,7-9H2,1-2H3
InChIKeyAUQZZXMLMPGQKW-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,N,N'N'-Tetraethyldipiolinamide
CID 101206
[(Pyridine-2-carbonyl)-amino]-acetic acid methyl ester
CID 43404717
N,N,N',N'-tetrakis(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 4155509
2-(N-methyl-1-pyridin-2-ylformamido)acetic acid
CID 16776132
4-(6-Bromopyridine-2-carbonyl)morpholine
CID 59723638
[4-(2-Fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 31806507
(2-Ethylpiperidin-1-yl)-(6-methylpyridin-2-yl)methanone
CID 42943801
methyl (2S)-2-(pyridine-2-carbonylamino)propanoate
CID 47337181
Ac-Ala-Lys(picolinoyl)-Ala-OMe
CID 52942155
2-Fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate
CID 71987835
(6-Methyl-2-pyridinyl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
CID 72112635
methyl (2R)-2-(pyridine-2-carbonylamino)propanoate
CID 73924057

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate (CID 115497491) is ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)c1cccc(F)n1.
What is the InChIKey of ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate?
The InChIKey is AUQZZXMLMPGQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-3-20-12(17)9-16(7-8-19-2)13(18)10-5-4-6-11(14)15-10/h4-6H,3,7-9H2,1-2H3.
What are the key properties of ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate?
ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate 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 ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 115497491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).