N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide

C25H27FN4O — CID 71292346

IUPACN-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide
SMILESCC(C)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)cc2F)CC1
InChIInChI=1S/C25H27FN4O/c1-18(2)29-13-15-30(16-14-29)24-11-10-21(17-22(24)26)28-25(31)20-8-6-19(7-9-20)23-5-3-4-12-27-23/h3-12,17-18H,13-16H2,1-2H3,(H,28,31)
InChIKeyLGPADHPVOUDZNG-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.67
Rot. Bonds5

About N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide

N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide (PubChem CID 71292346) has the molecular formula C25H27FN4O and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide
PubChem CID71292346
Molecular FormulaC25H27FN4O
Molecular Weight418.52 g/mol
Exact Mass418.22
IUPAC NameN-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide
SMILESCC(C)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)cc2F)CC1
InChIInChI=1S/C25H27FN4O/c1-18(2)29-13-15-30(16-14-29)24-11-10-21(17-22(24)26)28-25(31)20-8-6-19(7-9-20)23-5-3-4-12-27-23/h3-12,17-18H,13-16H2,1-2H3,(H,28,31)
InChIKeyLGPADHPVOUDZNG-UHFFFAOYSA-N
XLogP4.67
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide 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

N-benzyl-2-(4-phenylphenyl)acetamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide;N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide;N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide;N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-2-ylbenzamide
CID 159453647
N-naphthalen-2-yl-4-pyridin-2-ylbenzamide
CID 59673032
N-(3,5-dimethylphenyl)-4-pyridin-2-ylbenzamide
CID 143032339
N-[4-[4-(dipyridin-2-ylmethyl)piperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide
CID 68933477
N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732998
5-[(4-methylbenzoyl)amino]-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46363067
N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732675
N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 46968940
4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide
CID 17091477
3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one
CID 56539245
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 55470526

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide (CID 71292346) is N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide is CC(C)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)cc2F)CC1.
What is the InChIKey of N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide?
The InChIKey is LGPADHPVOUDZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O/c1-18(2)29-13-15-30(16-14-29)24-11-10-21(17-22(24)26)28-25(31)20-8-6-19(7-9-20)23-5-3-4-12-27-23/h3-12,17-18H,13-16H2,1-2H3,(H,28,31).
What are the key properties of N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide?
N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide has a molecular weight of 418.52 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 71292346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).