N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide

C25H20FN3O — CID 113021177

IUPACN-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(N(Cc2ccccc2)c2ccccc2)nc1)c1cccc(F)c1
InChIInChI=1S/C25H20FN3O/c26-21-11-7-10-20(16-21)25(30)28-22-14-15-24(27-17-22)29(23-12-5-2-6-13-23)18-19-8-3-1-4-9-19/h1-17H,18H2,(H,28,30)
InChIKeySYXHSXMUNCZTPO-UHFFFAOYSA-N
MW397.45 g/mol
LogP5.81
Rot. Bonds6

About N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide

N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide (PubChem CID 113021177) has the molecular formula C25H20FN3O and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide
PubChem CID113021177
Molecular FormulaC25H20FN3O
Molecular Weight397.45 g/mol
Exact Mass397.16
IUPAC NameN-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(N(Cc2ccccc2)c2ccccc2)nc1)c1cccc(F)c1
InChIInChI=1S/C25H20FN3O/c26-21-11-7-10-20(16-21)25(30)28-22-14-15-24(27-17-22)29(23-12-5-2-6-13-23)18-19-8-3-1-4-9-19/h1-17H,18H2,(H,28,30)
InChIKeySYXHSXMUNCZTPO-UHFFFAOYSA-N
XLogP5.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.45
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide 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-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113021176
N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113017591
3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
CID 113013512
2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine
CID 82104309
N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide
CID 30271698
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548
3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide
CID 113012780
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265734
3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide
CID 113009042

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide?
The IUPAC name of N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide (CID 113021177) is N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide.
What is the SMILES notation for N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide?
The canonical SMILES for N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide is O=C(Nc1ccc(N(Cc2ccccc2)c2ccccc2)nc1)c1cccc(F)c1.
What is the InChIKey of N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide?
The InChIKey is SYXHSXMUNCZTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O/c26-21-11-7-10-20(16-21)25(30)28-22-14-15-24(27-17-22)29(23-12-5-2-6-13-23)18-19-8-3-1-4-9-19/h1-17H,18H2,(H,28,30).
What are the key properties of N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide?
N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide has a molecular weight of 397.45 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide is sourced from PubChem (CID 113021177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).