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

C21H20FN3O — CID 109233461

IUPACN-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(NCc3ccccc3F)c2)c1C
InChIInChI=1S/C21H20FN3O/c1-14-6-5-9-20(15(14)2)25-21(26)17-10-18(13-23-11-17)24-12-16-7-3-4-8-19(16)22/h3-11,13,24H,12H2,1-2H3,(H,25,26)
InChIKeyZIZMEORMHAVXLI-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.70
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109233461) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID109233461
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(NCc3ccccc3F)c2)c1C
InChIInChI=1S/C21H20FN3O/c1-14-6-5-9-20(15(14)2)25-21(26)17-10-18(13-23-11-17)24-12-16-7-3-4-8-19(16)22/h3-11,13,24H,12H2,1-2H3,(H,25,26)
InChIKeyZIZMEORMHAVXLI-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

5-[(2-fluorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109233450
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233471
N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233459
5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109243282
5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide
CID 109233513
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
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109232147
5-anilino-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109241546
5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232130
5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109239400
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide (CID 109233461) is N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cncc(NCc3ccccc3F)c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is ZIZMEORMHAVXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14-6-5-9-20(15(14)2)25-21(26)17-10-18(13-23-11-17)24-12-16-7-3-4-8-19(16)22/h3-11,13,24H,12H2,1-2H3,(H,25,26).
What are the key properties of N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
N-(2,3-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-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109233461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).