5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide

C20H18FN3O — CID 109243282

IUPAC5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESCc1cccc(Nc2cncc(C(=O)Nc3ccccc3F)c2)c1C
InChIInChI=1S/C20H18FN3O/c1-13-6-5-9-18(14(13)2)23-16-10-15(11-22-12-16)20(25)24-19-8-4-3-7-17(19)21/h3-12,23H,1-2H3,(H,24,25)
InChIKeyJXMGWIQYTYOPMR-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.83
Rot. Bonds4

About 5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide

5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide (PubChem CID 109243282) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
PubChem CID109243282
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESCc1cccc(Nc2cncc(C(=O)Nc3ccccc3F)c2)c1C
InChIInChI=1S/C20H18FN3O/c1-13-6-5-9-18(14(13)2)23-16-10-15(11-22-12-16)20(25)24-19-8-4-3-7-17(19)21/h3-12,23H,1-2H3,(H,24,25)
InChIKeyJXMGWIQYTYOPMR-UHFFFAOYSA-N
XLogP4.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
5-anilino-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109241546
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109243291
N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233461
N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109242899
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242107
5-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109241821
N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109241729
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109244125
N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109243240
5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232809

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide (CID 109243282) is 5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide is Cc1cccc(Nc2cncc(C(=O)Nc3ccccc3F)c2)c1C.
What is the InChIKey of 5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is JXMGWIQYTYOPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-13-6-5-9-18(14(13)2)23-16-10-15(11-22-12-16)20(25)24-19-8-4-3-7-17(19)21/h3-12,23H,1-2H3,(H,24,25).
What are the key properties of 5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).