N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide

C22H21FN4O — CID 109237578

IUPACN-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cncc(N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C22H21FN4O/c23-18-6-8-19(9-7-18)25-22(28)17-14-21(16-24-15-17)27-12-10-26(11-13-27)20-4-2-1-3-5-20/h1-9,14-16H,10-13H2,(H,25,28)
InChIKeyIXLJSJBMNCOCKY-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.80
Rot. Bonds4

About N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide

N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109237578) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109237578
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cncc(N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C22H21FN4O/c23-18-6-8-19(9-7-18)25-22(28)17-14-21(16-24-15-17)27-12-10-26(11-13-27)20-4-2-1-3-5-20/h1-9,14-16H,10-13H2,(H,25,28)
InChIKeyIXLJSJBMNCOCKY-UHFFFAOYSA-N
XLogP3.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230952
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
CID 109241376
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109237631
N-(4-fluorophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109244279
N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230941
methyl 4-[[5-(4-formylpiperazin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109230985
5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246036
N-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227284

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide (CID 109237578) is N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1cncc(N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is IXLJSJBMNCOCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-18-6-8-19(9-7-18)25-22(28)17-14-21(16-24-15-17)27-12-10-26(11-13-27)20-4-2-1-3-5-20/h1-9,14-16H,10-13H2,(H,25,28).
What are the key properties of N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide?
N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109237578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).