5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide

C21H20FN3O — CID 109239035

IUPAC5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cncc(Nc2ccccc2F)c1
InChIInChI=1S/C21H20FN3O/c22-19-10-4-5-11-20(19)25-18-13-17(14-23-15-18)21(26)24-12-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,13-15,25H,6,9,12H2,(H,24,26)
InChIKeyJVXNKLORWFIMBG-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.33
Rot. Bonds7

About 5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide

5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide (PubChem CID 109239035) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
PubChem CID109239035
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cncc(Nc2ccccc2F)c1
InChIInChI=1S/C21H20FN3O/c22-19-10-4-5-11-20(19)25-18-13-17(14-23-15-18)21(26)24-12-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,13-15,25H,6,9,12H2,(H,24,26)
InChIKeyJVXNKLORWFIMBG-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

5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235876
5-(2-fluoroanilino)-N-propylpyridine-3-carboxamide
CID 109222874
5-(2-fluoroanilino)pyridine-3-carboxylic acid
CID 82535090
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222
N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109235856
methyl 4-[[5-(3-phenylpropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109239067
N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235374
5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236485
5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109236652
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
N-cyclopentyl-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109225985
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide (CID 109239035) is 5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide is O=C(NCCCc1ccccc1)c1cncc(Nc2ccccc2F)c1.
What is the InChIKey of 5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is JVXNKLORWFIMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-19-10-4-5-11-20(19)25-18-13-17(14-23-15-18)21(26)24-12-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,13-15,25H,6,9,12H2,(H,24,26).
What are the key properties of 5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-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 5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109239035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).