5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide

C21H19F2N3O — CID 109194887

IUPAC5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C21H19F2N3O/c22-16-8-10-19(18(23)13-16)26-17-9-11-20(25-14-17)21(27)24-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14,26H,4,7,12H2,(H,24,27)
InChIKeyOIXBRSRDJAJHAC-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.47
Rot. Bonds7

About 5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide

5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 109194887) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID109194887
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C21H19F2N3O/c22-16-8-10-19(18(23)13-16)26-17-9-11-20(25-14-17)21(27)24-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14,26H,4,7,12H2,(H,24,27)
InChIKeyOIXBRSRDJAJHAC-UHFFFAOYSA-N
XLogP4.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.47
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

N-[2-(4-chlorophenyl)ethyl]-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109193674
5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194849
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191792
5-(4-fluoroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287008
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235876
5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191800
5-anilino-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109197129
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 109194887) is 5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide is O=C(NCCCc1ccccc1)c1ccc(Nc2ccc(F)cc2F)cn1.
What is the InChIKey of 5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is OIXBRSRDJAJHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c22-16-8-10-19(18(23)13-16)26-17-9-11-20(25-14-17)21(27)24-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14,26H,4,7,12H2,(H,24,27).
What are the key properties of 5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109194887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).