6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide

C17H19FN2O — CID 63978971

IUPAC6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
SMILESCN(CCCCc1ccccc1)C(=O)c1ccc(F)nc1
InChIInChI=1S/C17H19FN2O/c1-20(17(21)15-10-11-16(18)19-13-15)12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3
InChIKeyZGYUXLPIFSXGDQ-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.32
Rot. Bonds6

About 6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide

6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide (PubChem CID 63978971) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
PubChem CID63978971
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
SMILESCN(CCCCc1ccccc1)C(=O)c1ccc(F)nc1
InChIInChI=1S/C17H19FN2O/c1-20(17(21)15-10-11-16(18)19-13-15)12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3
InChIKeyZGYUXLPIFSXGDQ-UHFFFAOYSA-N
XLogP3.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 113234599
6-(azepan-1-yl)-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 112837376
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769
N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560
6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 63979148
5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 60793303
2-[methyl(4-phenylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055292
N-[2-(dimethylamino)-2-oxoethyl]-6-fluoro-N-methylpyridine-3-carboxamide
CID 63971406
5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120688951
6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid
CID 70610869
4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide
CID 43588600
6-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 63971210

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide (CID 63978971) is 6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide is CN(CCCCc1ccccc1)C(=O)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide?
The InChIKey is ZGYUXLPIFSXGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-20(17(21)15-10-11-16(18)19-13-15)12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3.
What are the key properties of 6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide?
6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide has a molecular weight of 286.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 63978971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).