propyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate

C14H19FN2O3 — CID 143523091

IUPACpropyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate
SMILESCCCOC(=O)C(Cc1ccnc(N)c1F)C(=O)CC
InChIInChI=1S/C14H19FN2O3/c1-3-7-20-14(19)10(11(18)4-2)8-9-5-6-17-13(16)12(9)15/h5-6,10H,3-4,7-8H2,1-2H3,(H2,16,17)
InChIKeyFKQYTPDUANAWTJ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.89
Rot. Bonds7

About propyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate

propyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate (PubChem CID 143523091) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is propyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate.

Molecular Properties

Compound Namepropyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate
PubChem CID143523091
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Namepropyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate
SMILESCCCOC(=O)C(Cc1ccnc(N)c1F)C(=O)CC
InChIInChI=1S/C14H19FN2O3/c1-3-7-20-14(19)10(11(18)4-2)8-9-5-6-17-13(16)12(9)15/h5-6,10H,3-4,7-8H2,1-2H3,(H2,16,17)
InChIKeyFKQYTPDUANAWTJ-UHFFFAOYSA-N
XLogP1.89
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate?
The IUPAC name of propyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate (CID 143523091) is propyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate.
What is the SMILES notation for propyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate?
The canonical SMILES for propyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate is CCCOC(=O)C(Cc1ccnc(N)c1F)C(=O)CC.
What is the InChIKey of propyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate?
The InChIKey is FKQYTPDUANAWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-3-7-20-14(19)10(11(18)4-2)8-9-5-6-17-13(16)12(9)15/h5-6,10H,3-4,7-8H2,1-2H3,(H2,16,17).
What are the key properties of propyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate?
propyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate has a molecular weight of 282.31 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(2-amino-3-fluoro-4-pyridinyl)methyl]-3-oxopentanoate is sourced from PubChem (CID 143523091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).