3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide

C16H17FN2O — CID 115646100

IUPAC3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
SMILESCC(CCNC(=O)c1ccncc1F)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-12(13-5-3-2-4-6-13)7-10-19-16(20)14-8-9-18-11-15(14)17/h2-6,8-9,11-12H,7,10H2,1H3,(H,19,20)
InChIKeyBCCCHLRXBDNAHB-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.14
Rot. Bonds5

About 3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide

3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide (PubChem CID 115646100) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
PubChem CID115646100
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
SMILESCC(CCNC(=O)c1ccncc1F)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-12(13-5-3-2-4-6-13)7-10-19-16(20)14-8-9-18-11-15(14)17/h2-6,8-9,11-12H,7,10H2,1H3,(H,19,20)
InChIKeyBCCCHLRXBDNAHB-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide
CID 62947552
3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645467
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 115646316
N-(3-phenylbutyl)-2-sulfanylbenzamide
CID 107028920
N-(3-phenylbutyl)benzamide
CID 62403316
3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide
CID 115646493
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986832
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide (CID 115646100) is 3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide is CC(CCNC(=O)c1ccncc1F)c1ccccc1.
What is the InChIKey of 3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide?
The InChIKey is BCCCHLRXBDNAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-12(13-5-3-2-4-6-13)7-10-19-16(20)14-8-9-18-11-15(14)17/h2-6,8-9,11-12H,7,10H2,1H3,(H,19,20).
What are the key properties of 3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide?
3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide has a molecular weight of 272.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 115646100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).