5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid

C22H19FN2O3 — CID 69116851

IUPAC5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(F)ncc1C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19FN2O3/c23-20-13-18(22(27)28)19(14-25-20)21(26)24-12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2,(H,24,26)(H,27,28)
InChIKeyLFRFKPDGORKPKZ-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.87
Rot. Bonds7

About 5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid

5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid (PubChem CID 69116851) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid
PubChem CID69116851
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(F)ncc1C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19FN2O3/c23-20-13-18(22(27)28)19(14-25-20)21(26)24-12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2,(H,24,26)(H,27,28)
InChIKeyLFRFKPDGORKPKZ-UHFFFAOYSA-N
XLogP3.87
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-[3,3-bis(4-fluorophenyl)propyl]isoquinoline-3-carboxamide
CID 45121525
2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
CID 18225114
N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
CID 7536893
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
N-(3,3-diphenylpropyl)-8-hydroxyquinoline-7-carboxamide
CID 18372579
N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide
CID 24761812
N-(3,3-diphenylpropyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 134030247
N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 9398159
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide
CID 4162787

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid?
The IUPAC name of 5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid (CID 69116851) is 5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid is O=C(O)c1cc(F)ncc1C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid?
The InChIKey is LFRFKPDGORKPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-20-13-18(22(27)28)19(14-25-20)21(26)24-12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2,(H,24,26)(H,27,28).
What are the key properties of 5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid?
5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid has a molecular weight of 378.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 69116851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).