6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide

C15H15FN2O — CID 63972769

IUPAC6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(F)nc1
InChIInChI=1S/C15H15FN2O/c16-14-9-8-13(11-18-14)15(19)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,17,19)
InChIKeyNASBROXWSRQNSJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.58
Rot. Bonds5

About 6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide

6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide (PubChem CID 63972769) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
PubChem CID63972769
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(F)nc1
InChIInChI=1S/C15H15FN2O/c16-14-9-8-13(11-18-14)15(19)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,17,19)
InChIKeyNASBROXWSRQNSJ-UHFFFAOYSA-N
XLogP2.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
CID 63978211
6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 63978992
6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 63978971
6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160841
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674359
N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 58769005
2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide
CID 154026015

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide (CID 63972769) is 6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide is O=C(NCCCc1ccccc1)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is NASBROXWSRQNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-14-9-8-13(11-18-14)15(19)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,17,19).
What are the key properties of 6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide?
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 63972769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).