5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

C21H20FN3O — CID 109188609

IUPAC5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(NCc3ccccc3F)cn2)cc1
InChIInChI=1S/C21H20FN3O/c1-15-6-8-16(9-7-15)12-25-21(26)20-11-10-18(14-24-20)23-13-17-4-2-3-5-19(17)22/h2-11,14,23H,12-13H2,1H3,(H,25,26)
InChIKeyOCGJPTQTACCSPP-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.07
Rot. Bonds6

About 5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109188609) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109188609
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(NCc3ccccc3F)cn2)cc1
InChIInChI=1S/C21H20FN3O/c1-15-6-8-16(9-7-15)12-25-21(26)20-11-10-18(14-24-20)23-13-17-4-2-3-5-19(17)22/h2-11,14,23H,12-13H2,1H3,(H,25,26)
InChIKeyOCGJPTQTACCSPP-UHFFFAOYSA-N
XLogP4.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189342
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189485
N-[2-(4-fluorophenyl)ethyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189475
5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345
N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189494
N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189516
N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181224
N-[2-(4-fluorophenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188263
N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188488
N-[(4-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109189600

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide (CID 109188609) is 5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2ccc(NCc3ccccc3F)cn2)cc1.
What is the InChIKey of 5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is OCGJPTQTACCSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-15-6-8-16(9-7-15)12-25-21(26)20-11-10-18(14-24-20)23-13-17-4-2-3-5-19(17)22/h2-11,14,23H,12-13H2,1H3,(H,25,26).
What are the key properties of 5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109188609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).