4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide

C21H20FN5O — CID 113029575

IUPAC4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccn3)CC2)cn1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN5O/c22-17-6-4-16(5-7-17)21(28)25-19-9-8-18(15-24-19)26-11-13-27(14-12-26)20-3-1-2-10-23-20/h1-10,15H,11-14H2,(H,24,25,28)
InChIKeyWWPAQDADFAZTMJ-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.19
Rot. Bonds4

About 4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide

4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide (PubChem CID 113029575) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
PubChem CID113029575
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccn3)CC2)cn1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN5O/c22-17-6-4-16(5-7-17)21(28)25-19-9-8-18(15-24-19)26-11-13-27(14-12-26)20-3-1-2-10-23-20/h1-10,15H,11-14H2,(H,24,25,28)
InChIKeyWWPAQDADFAZTMJ-UHFFFAOYSA-N
XLogP3.19
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029571
N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113029557
2-(2-fluorophenyl)-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]acetamide
CID 113029590
1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea
CID 113029595
N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029474
6-pyrrolidin-1-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-3-carboxamide
CID 154735988
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113026047
4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043874
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-4-fluorobenzamide
CID 113031771
3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984624
N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160574
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide?
The IUPAC name of 4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide (CID 113029575) is 4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide is O=C(Nc1ccc(N2CCN(c3ccccn3)CC2)cn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide?
The InChIKey is WWPAQDADFAZTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-17-6-4-16(5-7-17)21(28)25-19-9-8-18(15-24-19)26-11-13-27(14-12-26)20-3-1-2-10-23-20/h1-10,15H,11-14H2,(H,24,25,28).
What are the key properties of 4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide?
4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide has a molecular weight of 377.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 113029575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).