N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

C22H21FN4O — CID 109198850

IUPACN-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C22H21FN4O/c23-19-5-1-2-6-20(19)26-22(28)21-12-9-17(15-24-21)25-16-7-10-18(11-8-16)27-13-3-4-14-27/h1-2,5-12,15,25H,3-4,13-14H2,(H,26,28)
InChIKeyUJAMKQAUYULXSX-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.82
Rot. Bonds5

About N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (PubChem CID 109198850) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
PubChem CID109198850
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C22H21FN4O/c23-19-5-1-2-6-20(19)26-22(28)21-12-9-17(15-24-21)25-16-7-10-18(11-8-16)27-13-3-4-14-27/h1-2,5-12,15,25H,3-4,13-14H2,(H,26,28)
InChIKeyUJAMKQAUYULXSX-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

N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199103
N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109200605
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200601
N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109163238
5-(2,6-dichloroanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109198867
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799
5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179591
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109186840
5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109198855
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (CID 109198850) is N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(Nc2ccc(N3CCCC3)cc2)cn1.
What is the InChIKey of N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The InChIKey is UJAMKQAUYULXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-19-5-1-2-6-20(19)26-22(28)21-12-9-17(15-24-21)25-16-7-10-18(11-8-16)27-13-3-4-14-27/h1-2,5-12,15,25H,3-4,13-14H2,(H,26,28).
What are the key properties of N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)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 N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109198850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).