5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide

C20H19FN4O — CID 109244125

IUPAC5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESCN(C)c1ccc(Nc2cncc(C(=O)Nc3ccccc3F)c2)cc1
InChIInChI=1S/C20H19FN4O/c1-25(2)17-9-7-15(8-10-17)23-16-11-14(12-22-13-16)20(26)24-19-6-4-3-5-18(19)21/h3-13,23H,1-2H3,(H,24,26)
InChIKeyRQOKJOHRVJMRJR-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.28
Rot. Bonds5

About 5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide

5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide (PubChem CID 109244125) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide
PubChem CID109244125
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESCN(C)c1ccc(Nc2cncc(C(=O)Nc3ccccc3F)c2)cc1
InChIInChI=1S/C20H19FN4O/c1-25(2)17-9-7-15(8-10-17)23-16-11-14(12-22-13-16)20(26)24-19-6-4-3-5-18(19)21/h3-13,23H,1-2H3,(H,24,26)
InChIKeyRQOKJOHRVJMRJR-UHFFFAOYSA-N
XLogP4.28
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244637
5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109245894
ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109244137
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109243282
5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244078
N-(2-fluorophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223073
N-[4-(dimethylamino)phenyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236392
N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109242899
5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236480
5-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109244174
5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109224645

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide (CID 109244125) is 5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide is CN(C)c1ccc(Nc2cncc(C(=O)Nc3ccccc3F)c2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is RQOKJOHRVJMRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-25(2)17-9-7-15(8-10-17)23-16-11-14(12-22-13-16)20(26)24-19-6-4-3-5-18(19)21/h3-13,23H,1-2H3,(H,24,26).
What are the key properties of 5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide?
5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109244125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).