5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide

C17H20FN3O — CID 109195788

IUPAC5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C17H20FN3O/c1-2-3-4-10-19-17(22)16-9-8-15(12-20-16)21-14-7-5-6-13(18)11-14/h5-9,11-12,21H,2-4,10H2,1H3,(H,19,22)
InChIKeyFWSPSRXGKOXKOF-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.88
Rot. Bonds7

About 5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide

5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide (PubChem CID 109195788) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide
PubChem CID109195788
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C17H20FN3O/c1-2-3-4-10-19-17(22)16-9-8-15(12-20-16)21-14-7-5-6-13(18)11-14/h5-9,11-12,21H,2-4,10H2,1H3,(H,19,22)
InChIKeyFWSPSRXGKOXKOF-UHFFFAOYSA-N
XLogP3.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.88
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-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790
5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide
CID 109195775
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399
N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide
CID 109181549
N-butyl-5-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109180718
5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
CID 109195813
N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109195799
5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190439
5-(2-methylpropylamino)-N-pentylpyridine-2-carboxamide
CID 109181275
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191278
N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109180759
N-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide
CID 109198040

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide?
The IUPAC name of 5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide (CID 109195788) is 5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1ccc(Nc2cccc(F)c2)cn1.
What is the InChIKey of 5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide?
The InChIKey is FWSPSRXGKOXKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-2-3-4-10-19-17(22)16-9-8-15(12-20-16)21-14-7-5-6-13(18)11-14/h5-9,11-12,21H,2-4,10H2,1H3,(H,19,22).
What are the key properties of 5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide?
5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide is sourced from PubChem (CID 109195788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).