3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide

C17H20FN3O — CID 86779903

IUPAC3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
SMILESCc1cc(F)cc(C(=O)NCCCNCc2cccnc2)c1
InChIInChI=1S/C17H20FN3O/c1-13-8-15(10-16(18)9-13)17(22)21-7-3-6-20-12-14-4-2-5-19-11-14/h2,4-5,8-11,20H,3,6-7,12H2,1H3,(H,21,22)
InChIKeyPXGCMTICYKGWTF-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.44
Rot. Bonds7

About 3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide

3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide (PubChem CID 86779903) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
PubChem CID86779903
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
SMILESCc1cc(F)cc(C(=O)NCCCNCc2cccnc2)c1
InChIInChI=1S/C17H20FN3O/c1-13-8-15(10-16(18)9-13)17(22)21-7-3-6-20-12-14-4-2-5-19-11-14/h2,4-5,8-11,20H,3,6-7,12H2,1H3,(H,21,22)
InChIKeyPXGCMTICYKGWTF-UHFFFAOYSA-N
XLogP2.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.44
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

2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride
CID 86779912
2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide
CID 66126278
N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide
CID 142242395
4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide
CID 66335871
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 43600549
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 4543569
N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 43600569
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 86779907
N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 3338118
N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide?
The IUPAC name of 3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide (CID 86779903) is 3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide?
The canonical SMILES for 3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide is Cc1cc(F)cc(C(=O)NCCCNCc2cccnc2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide?
The InChIKey is PXGCMTICYKGWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-13-8-15(10-16(18)9-13)17(22)21-7-3-6-20-12-14-4-2-5-19-11-14/h2,4-5,8-11,20H,3,6-7,12H2,1H3,(H,21,22).
What are the key properties of 3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide?
3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide has a molecular weight of 301.37 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 86779903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).