N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide

C20H18FN3O — CID 113012110

IUPACN-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C20H18FN3O/c1-14-2-6-16(7-3-14)20(25)24-18-10-11-19(23-13-18)22-12-15-4-8-17(21)9-5-15/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyPQQLSURPEHJUJQ-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.39
Rot. Bonds5

About N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide

N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide (PubChem CID 113012110) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
PubChem CID113012110
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C20H18FN3O/c1-14-2-6-16(7-3-14)20(25)24-18-10-11-19(23-13-18)22-12-15-4-8-17(21)9-5-15/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyPQQLSURPEHJUJQ-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

4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
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 N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide (CID 113012110) is N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(NCc3ccc(F)cc3)nc2)cc1.
What is the InChIKey of N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide?
The InChIKey is PQQLSURPEHJUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-14-2-6-16(7-3-14)20(25)24-18-10-11-19(23-13-18)22-12-15-4-8-17(21)9-5-15/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide?
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide 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 N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 113012110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).