2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide

C21H20FN3O — CID 109174835

IUPAC2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccnc(Nc2cccc(F)c2)c1
InChIInChI=1S/C21H20FN3O/c22-18-9-4-10-19(15-18)25-20-14-17(11-13-23-20)21(26)24-12-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-11,13-15H,5,8,12H2,(H,23,25)(H,24,26)
InChIKeyPUQLOEUVSPJKKY-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.33
Rot. Bonds7

About 2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide

2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide (PubChem CID 109174835) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide
PubChem CID109174835
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccnc(Nc2cccc(F)c2)c1
InChIInChI=1S/C21H20FN3O/c22-18-9-4-10-19(15-18)25-20-14-17(11-13-23-20)21(26)24-12-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-11,13-15H,5,8,12H2,(H,23,25)(H,24,26)
InChIKeyPUQLOEUVSPJKKY-UHFFFAOYSA-N
XLogP4.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167115
N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109172217
2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 67153857
2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109170654
2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172768
N-[(4-chlorophenyl)methyl]-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109170915
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350623
2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
4-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216627
2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109172229

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide (CID 109174835) is 2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide is O=C(NCCCc1ccccc1)c1ccnc(Nc2cccc(F)c2)c1.
What is the InChIKey of 2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide?
The InChIKey is PUQLOEUVSPJKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-18-9-4-10-19(15-18)25-20-14-17(11-13-23-20)21(26)24-12-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-11,13-15H,5,8,12H2,(H,23,25)(H,24,26).
What are the key properties of 2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide?
2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109174835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).