5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide

C14H20FN3O2 — CID 138669975

IUPAC5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(OC/C(=C/F)CN)cn1
InChIInChI=1S/C14H20FN3O2/c1-3-18(4-2)14(19)13-6-5-12(9-17-13)20-10-11(7-15)8-16/h5-7,9H,3-4,8,10,16H2,1-2H3/b11-7+
InChIKeyWMIOXTIXVHRWOS-YRNVUSSQSA-N
MW281.33 g/mol
LogP1.75
Rot. Bonds7

About 5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide

5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide (PubChem CID 138669975) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide
PubChem CID138669975
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(OC/C(=C/F)CN)cn1
InChIInChI=1S/C14H20FN3O2/c1-3-18(4-2)14(19)13-6-5-12(9-17-13)20-10-11(7-15)8-16/h5-7,9H,3-4,8,10,16H2,1-2H3/b11-7+
InChIKeyWMIOXTIXVHRWOS-YRNVUSSQSA-N
XLogP1.75
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide (CID 138669975) is 5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1ccc(OC/C(=C/F)CN)cn1.
What is the InChIKey of 5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide?
The InChIKey is WMIOXTIXVHRWOS-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-3-18(4-2)14(19)13-6-5-12(9-17-13)20-10-11(7-15)8-16/h5-7,9H,3-4,8,10,16H2,1-2H3/b11-7+.
What are the key properties of 5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide?
5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 138669975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).