N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide

C15H15FN2O — CID 103789587

IUPACN-(6-fluoro-3-pyridinyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(F)nc1
InChIInChI=1S/C15H15FN2O/c16-14-10-9-13(11-17-14)18-15(19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,18,19)
InChIKeyHPYHWFJOIQKRHU-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.18
Rot. Bonds5

About N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide

N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide (PubChem CID 103789587) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-4-phenylbutanamide
PubChem CID103789587
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-(6-fluoro-3-pyridinyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(F)nc1
InChIInChI=1S/C15H15FN2O/c16-14-10-9-13(11-17-14)18-15(19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,18,19)
InChIKeyHPYHWFJOIQKRHU-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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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Related Compounds

N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
N-(6-fluoro-3-pyridinyl)-2-phenoxyacetamide
CID 103789815
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
2-amino-N-(6-fluoro-3-pyridinyl)acetamide
CID 103794912
N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 172887275
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
CID 103794914
3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
CID 103823688
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011
N-(4-carbamothioylphenyl)-4-phenylbutanamide
CID 28939713

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide (CID 103789587) is N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1ccc(F)nc1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide?
The InChIKey is HPYHWFJOIQKRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-14-10-9-13(11-17-14)18-15(19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,18,19).
What are the key properties of N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide?
N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide has a molecular weight of 258.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide is sourced from PubChem (CID 103789587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).