2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride

C17H21ClFN3O — CID 86779912

IUPAC2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride
SMILESCc1cccc(C(=O)NCCCNCc2cccnc2)c1F.Cl
InChIInChI=1S/C17H20FN3O.ClH/c1-13-5-2-7-15(16(13)18)17(22)21-10-4-9-20-12-14-6-3-8-19-11-14;/h2-3,5-8,11,20H,4,9-10,12H2,1H3,(H,21,22);1H
InChIKeyQZUAWDFLMJOYRT-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.86
Rot. Bonds7

About 2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride

2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride (PubChem CID 86779912) has the molecular formula C17H21ClFN3O and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride
PubChem CID86779912
Molecular FormulaC17H21ClFN3O
Molecular Weight337.83 g/mol
Exact Mass337.14
IUPAC Name2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride
SMILESCc1cccc(C(=O)NCCCNCc2cccnc2)c1F.Cl
InChIInChI=1S/C17H20FN3O.ClH/c1-13-5-2-7-15(16(13)18)17(22)21-10-4-9-20-12-14-6-3-8-19-11-14;/h2-3,5-8,11,20H,4,9-10,12H2,1H3,(H,21,22);1H
InChIKeyQZUAWDFLMJOYRT-UHFFFAOYSA-N
XLogP2.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 86779903
4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide
CID 66335871
3,7-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1-benzofuran-2-carboxamide
CID 86779911
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide;hydrochloride
CID 86779906
2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide
CID 66126278
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 43600549
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 86779907
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 43600569
5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103295849
N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2992500
2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 79883496

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride (CID 86779912) is 2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride is Cc1cccc(C(=O)NCCCNCc2cccnc2)c1F.Cl.
What is the InChIKey of 2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride?
The InChIKey is QZUAWDFLMJOYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O.ClH/c1-13-5-2-7-15(16(13)18)17(22)21-10-4-9-20-12-14-6-3-8-19-11-14;/h2-3,5-8,11,20H,4,9-10,12H2,1H3,(H,21,22);1H.
What are the key properties of 2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride?
2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride has a molecular weight of 337.83 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 86779912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).