6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide

C17H19FN2O — CID 63973383

IUPAC6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)c1ccc(F)nc1
InChIInChI=1S/C17H19FN2O/c1-3-10-20(12-14-6-4-13(2)5-7-14)17(21)15-8-9-16(18)19-11-15/h4-9,11H,3,10,12H2,1-2H3
InChIKeyFWXCRKYOEBIEPU-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.58
Rot. Bonds5

About 6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide

6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide (PubChem CID 63973383) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
PubChem CID63973383
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)c1ccc(F)nc1
InChIInChI=1S/C17H19FN2O/c1-3-10-20(12-14-6-4-13(2)5-7-14)17(21)15-8-9-16(18)19-11-15/h4-9,11H,3,10,12H2,1-2H3
InChIKeyFWXCRKYOEBIEPU-UHFFFAOYSA-N
XLogP3.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 113234599
N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 63978972
6-fluoro-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 63979339
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 63979343
benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide
CID 144812222
2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide
CID 50982044
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560
4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide
CID 63103779
2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide
CID 106686184
6-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 63979680

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide (CID 63973383) is 6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide is CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide?
The InChIKey is FWXCRKYOEBIEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-10-20(12-14-6-4-13(2)5-7-14)17(21)15-8-9-16(18)19-11-15/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of 6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide?
6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide has a molecular weight of 286.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 63973383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).