N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide

C21H20FN3O — CID 109189516

IUPACN-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(NCc2ccccc2F)cn1
InChIInChI=1S/C21H20FN3O/c1-14-6-5-7-15(2)20(14)25-21(26)19-11-10-17(13-24-19)23-12-16-8-3-4-9-18(16)22/h3-11,13,23H,12H2,1-2H3,(H,25,26)
InChIKeyYZHBSTGORLEFEY-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.70
Rot. Bonds5

About N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide

N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109189516) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
PubChem CID109189516
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(NCc2ccccc2F)cn1
InChIInChI=1S/C21H20FN3O/c1-14-6-5-7-15(2)20(14)25-21(26)19-11-10-17(13-24-19)23-12-16-8-3-4-9-18(16)22/h3-11,13,23H,12H2,1-2H3,(H,25,26)
InChIKeyYZHBSTGORLEFEY-UHFFFAOYSA-N
XLogP4.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189494
N-(3,4-dichlorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189570
5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188609
N-(3-chloro-4-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189536
N-(2,6-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188543
ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109189577
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
5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
N-[2-(4-fluorophenyl)ethyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189475
N-[2-(4-fluorophenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188263
N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189342

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide (CID 109189516) is N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide is Cc1cccc(C)c1NC(=O)c1ccc(NCc2ccccc2F)cn1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is YZHBSTGORLEFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14-6-5-7-15(2)20(14)25-21(26)19-11-10-17(13-24-19)23-12-16-8-3-4-9-18(16)22/h3-11,13,23H,12H2,1-2H3,(H,25,26).
What are the key properties of N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109189516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).