5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide

C22H21FN4O — CID 109199047

IUPAC5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Nc2ccc(F)cc2)cn1
InChIInChI=1S/C22H21FN4O/c23-16-3-5-17(6-4-16)25-19-9-12-21(24-15-19)22(28)26-18-7-10-20(11-8-18)27-13-1-2-14-27/h3-12,15,25H,1-2,13-14H2,(H,26,28)
InChIKeyLAWPFSHXJOEZNX-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.82
Rot. Bonds5

About 5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide

5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (PubChem CID 109199047) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
PubChem CID109199047
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Nc2ccc(F)cc2)cn1
InChIInChI=1S/C22H21FN4O/c23-16-3-5-17(6-4-16)25-19-9-12-21(24-15-19)22(28)26-18-7-10-20(11-8-18)27-13-1-2-14-27/h3-12,15,25H,1-2,13-14H2,(H,26,28)
InChIKeyLAWPFSHXJOEZNX-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-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200601
N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109200605
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109198850
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199103
5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179591
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109163278
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200617

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (CID 109199047) is 5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Nc2ccc(F)cc2)cn1.
What is the InChIKey of 5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The InChIKey is LAWPFSHXJOEZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-16-3-5-17(6-4-16)25-19-9-12-21(24-15-19)22(28)26-18-7-10-20(11-8-18)27-13-1-2-14-27/h3-12,15,25H,1-2,13-14H2,(H,26,28).
What are the key properties of 5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-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-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109199047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).