N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide

C21H20FN3O — CID 109233459

IUPACN-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(NCc3ccccc3F)c2)c1
InChIInChI=1S/C21H20FN3O/c1-14-7-15(2)9-18(8-14)25-21(26)17-10-19(13-23-11-17)24-12-16-5-3-4-6-20(16)22/h3-11,13,24H,12H2,1-2H3,(H,25,26)
InChIKeyQWINFSREULROMD-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.70
Rot. Bonds5

About N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide

N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109233459) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID109233459
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(NCc3ccccc3F)c2)c1
InChIInChI=1S/C21H20FN3O/c1-14-7-15(2)9-18(8-14)25-21(26)17-10-19(13-23-11-17)24-12-16-5-3-4-6-20(16)22/h3-11,13,24H,12H2,1-2H3,(H,25,26)
InChIKeyQWINFSREULROMD-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

Analyze N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide 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

5-[(2-fluorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109233450
N-(3-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233510
methyl 3-[[5-[(2-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109233505
N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233461
5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106326
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233471
N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232132
5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232130
N-cyclopropyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109223581
N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223059
5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228022
5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223975

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide (CID 109233459) is N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cncc(NCc3ccccc3F)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is QWINFSREULROMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14-7-15(2)9-18(8-14)25-21(26)17-10-19(13-23-11-17)24-12-16-5-3-4-6-20(16)22/h3-11,13,24H,12H2,1-2H3,(H,25,26).
What are the key properties of N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-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-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109233459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).