5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide

C23H20BrFN4O2 — CID 2985259

IUPAC5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)c1cncc(Br)c1
InChIInChI=1S/C23H20BrFN4O2/c24-17-13-16(14-26-15-17)22(30)27-18-5-7-19(8-6-18)28-9-11-29(12-10-28)23(31)20-3-1-2-4-21(20)25/h1-8,13-15H,9-12H2,(H,27,30)
InChIKeyFGDNPQGECCKYLW-UHFFFAOYSA-N
MW483.34 g/mol
LogP4.20
Rot. Bonds4

About 5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide

5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 2985259) has the molecular formula C23H20BrFN4O2 and a molecular weight of 483.34 g/mol. Its IUPAC name is 5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID2985259
Molecular FormulaC23H20BrFN4O2
Molecular Weight483.34 g/mol
Exact Mass482.08
IUPAC Name5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)c1cncc(Br)c1
InChIInChI=1S/C23H20BrFN4O2/c24-17-13-16(14-26-15-17)22(30)27-18-5-7-19(8-6-18)28-9-11-29(12-10-28)23(31)20-3-1-2-4-21(20)25/h1-8,13-15H,9-12H2,(H,27,30)
InChIKeyFGDNPQGECCKYLW-UHFFFAOYSA-N
XLogP4.20
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide 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

2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17273892
5-bromo-2-chloro-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 43913788
N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109237578
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 42678325
3-chloro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide
CID 17273895
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
2,4-dichloro-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 43913835
4-bromo-N-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 42767148
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041978
4-chloro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 42678327
3,4-dimethyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500935

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide (CID 2985259) is 5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is FGDNPQGECCKYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrFN4O2/c24-17-13-16(14-26-15-17)22(30)27-18-5-7-19(8-6-18)28-9-11-29(12-10-28)23(31)20-3-1-2-4-21(20)25/h1-8,13-15H,9-12H2,(H,27,30).
What are the key properties of 5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 483.34 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 2985259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).