5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide

C22H21FN4O — CID 109246036

IUPAC5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cncc(Nc2cccc(F)c2)c1
InChIInChI=1S/C22H21FN4O/c23-17-4-3-5-19(13-17)25-20-12-16(14-24-15-20)22(28)26-18-6-8-21(9-7-18)27-10-1-2-11-27/h3-9,12-15,25H,1-2,10-11H2,(H,26,28)
InChIKeyVFKJSLLUJNBMIJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.82
Rot. Bonds5

About 5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide

5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 109246036) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID109246036
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cncc(Nc2cccc(F)c2)c1
InChIInChI=1S/C22H21FN4O/c23-17-4-3-5-19(13-17)25-20-12-16(14-24-15-20)22(28)26-18-6-8-21(9-7-18)27-10-1-2-11-27/h3-9,12-15,25H,1-2,10-11H2,(H,26,28)
InChIKeyVFKJSLLUJNBMIJ-UHFFFAOYSA-N
XLogP4.82
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.82
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-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109245265
2-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270317
N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109244496
5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109243207
N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109246061
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
CID 110295195
N-(3-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109270326
5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246057
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-(2,6-difluoroanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109246109
N-[(2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109233382

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide (CID 109246036) is 5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cncc(Nc2cccc(F)c2)c1.
What is the InChIKey of 5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is VFKJSLLUJNBMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-17-4-3-5-19(13-17)25-20-12-16(14-24-15-20)22(28)26-18-6-8-21(9-7-18)27-10-1-2-11-27/h3-9,12-15,25H,1-2,10-11H2,(H,26,28).
What are the key properties of 5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109246036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).