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

C14H21ClFN3O2 — CID 155141729

IUPAC5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(OCC(=CF)CN)cn1.Cl
InChIInChI=1S/C14H20FN3O2.ClH/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;1H
InChIKeyRZRFPARKMVBWPM-UHFFFAOYSA-N
MW317.79 g/mol
LogP2.18
Rot. Bonds7

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

5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride (PubChem CID 155141729) has the molecular formula C14H21ClFN3O2 and a molecular weight of 317.79 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride
PubChem CID155141729
Molecular FormulaC14H21ClFN3O2
Molecular Weight317.79 g/mol
Exact Mass317.13
IUPAC Name5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(OCC(=CF)CN)cn1.Cl
InChIInChI=1S/C14H20FN3O2.ClH/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;1H
InChIKeyRZRFPARKMVBWPM-UHFFFAOYSA-N
XLogP2.18
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;tert-butyl (E)-4-[[6-(diethylcarbamoyl)-3-pyridinyl]oxymethyl]-5-fluoropent-4-enoate;hydrochloride
CID 159327453
tert-butyl (E)-4-[[6-(diethylcarbamoyl)-3-pyridinyl]oxymethyl]-5-fluoropent-4-enoate
CID 159327454
N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide
CID 159419183
4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide
CID 123918652
N,N-diethyl-5-hydroxypyridine-2-carboxamide
CID 67234300
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
(E)-3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine;hydrochloride
CID 162309300
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-ethylbenzenesulfonamide
CID 118117193
6-(diethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427227
1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 135356590
N-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide
CID 137473320
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzamide
CID 71812247

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride?
The IUPAC name of 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride (CID 155141729) is 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride is CCN(CC)C(=O)c1ccc(OCC(=CF)CN)cn1.Cl.
What is the InChIKey of 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride?
The InChIKey is RZRFPARKMVBWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2.ClH/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;1H.
What are the key properties of 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride?
5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride has a molecular weight of 317.79 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 155141729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).