N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide

C25H22BrF2N5O2 — CID 10209154

IUPACN-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCCCC1
InChIInChI=1S/C25H22BrF2N5O2/c26-16-5-9-22(30-14-16)32-25(35)19-13-17(27)6-8-21(19)31-24(34)18-7-4-15(12-20(18)28)23(29)33-10-2-1-3-11-33/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35)/b29-23-
InChIKeyBSRXSRLDSHLBLX-FAJYDZGRSA-N
MW542.38 g/mol
LogP5.44
Rot. Bonds5

About N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide

N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide (PubChem CID 10209154) has the molecular formula C25H22BrF2N5O2 and a molecular weight of 542.38 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide
PubChem CID10209154
Molecular FormulaC25H22BrF2N5O2
Molecular Weight542.38 g/mol
Exact Mass541.09
IUPAC NameN-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCCCC1
InChIInChI=1S/C25H22BrF2N5O2/c26-16-5-9-22(30-14-16)32-25(35)19-13-17(27)6-8-21(19)31-24(34)18-7-4-15(12-20(18)28)23(29)33-10-2-1-3-11-33/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35)/b29-23-
InChIKeyBSRXSRLDSHLBLX-FAJYDZGRSA-N
XLogP5.44
TPSA98.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.38
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide?
The IUPAC name of N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide (CID 10209154) is N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide.
What is the SMILES notation for N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide?
The canonical SMILES for N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCCCC1.
What is the InChIKey of N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide?
The InChIKey is BSRXSRLDSHLBLX-FAJYDZGRSA-N. The full InChI is InChI=1S/C25H22BrF2N5O2/c26-16-5-9-22(30-14-16)32-25(35)19-13-17(27)6-8-21(19)31-24(34)18-7-4-15(12-20(18)28)23(29)33-10-2-1-3-11-33/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35)/b29-23-.
What are the key properties of N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide?
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide has a molecular weight of 542.38 g/mol, XLogP of 5.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide is sourced from PubChem (CID 10209154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).