4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide

C20H18FN3O — CID 113011762

IUPAC4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
SMILESCc1ccc(CNc2ccc(NC(=O)c3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C20H18FN3O/c1-14-2-4-15(5-3-14)12-22-19-11-10-18(13-23-19)24-20(25)16-6-8-17(21)9-7-16/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyOTVNPUQSJJWIQU-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.39
Rot. Bonds5

About 4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide

4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide (PubChem CID 113011762) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
PubChem CID113011762
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
SMILESCc1ccc(CNc2ccc(NC(=O)c3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C20H18FN3O/c1-14-2-4-15(5-3-14)12-22-19-11-10-18(13-23-19)24-20(25)16-6-8-17(21)9-7-16/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyOTVNPUQSJJWIQU-UHFFFAOYSA-N
XLogP4.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109156026
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003
2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011760
N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
CID 133404406
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113012140
ethyl 4-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156667
N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155992
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156661
methyl 4-[[6-[(4-methylphenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156010

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
The IUPAC name of 4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide (CID 113011762) is 4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide is Cc1ccc(CNc2ccc(NC(=O)c3ccc(F)cc3)cn2)cc1.
What is the InChIKey of 4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
The InChIKey is OTVNPUQSJJWIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-14-2-4-15(5-3-14)12-22-19-11-10-18(13-23-19)24-20(25)16-6-8-17(21)9-7-16/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide has a molecular weight of 335.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113011762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).