N-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide

C21H19FN2O — CID 138319964

IUPACN-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc([18F])nc1
InChIInChI=1S/C21H19FN2O/c22-20-12-11-18(15-24-20)21(25)23-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2,(H,23,25)/i22-1
InChIKeyCEPSBUIWVLQEKQ-KVTPGWOSSA-N
MW333.40 g/mol
LogP4.17
Rot. Bonds6

About N-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide

N-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide (PubChem CID 138319964) has the molecular formula C21H19FN2O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide
PubChem CID138319964
Molecular FormulaC21H19FN2O
Molecular Weight333.40 g/mol
Exact Mass333.15
IUPAC NameN-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc([18F])nc1
InChIInChI=1S/C21H19FN2O/c22-20-12-11-18(15-24-20)21(25)23-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2,(H,23,25)/i22-1
InChIKeyCEPSBUIWVLQEKQ-KVTPGWOSSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide (CID 138319964) is N-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc([18F])nc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide?
The InChIKey is CEPSBUIWVLQEKQ-KVTPGWOSSA-N. The full InChI is InChI=1S/C21H19FN2O/c22-20-12-11-18(15-24-20)21(25)23-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2,(H,23,25)/i22-1.
What are the key properties of N-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide?
N-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-6-(18F)fluoropyridine-3-carboxamide is sourced from PubChem (CID 138319964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).