N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide

C16H17FN2O — CID 84505391

IUPACN-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide
SMILESO=C(NCCCCc1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C16H17FN2O/c17-15-6-4-13(5-7-15)3-1-2-10-19-16(20)14-8-11-18-12-9-14/h4-9,11-12H,1-3,10H2,(H,19,20)
InChIKeyUISFGRYDMQYNPI-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.97
Rot. Bonds6

About N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide

N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide (PubChem CID 84505391) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide
PubChem CID84505391
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide
SMILESO=C(NCCCCc1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C16H17FN2O/c17-15-6-4-13(5-7-15)3-1-2-10-19-16(20)14-8-11-18-12-9-14/h4-9,11-12H,1-3,10H2,(H,19,20)
InChIKeyUISFGRYDMQYNPI-UHFFFAOYSA-N
XLogP2.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-pentylpyridine-4-carboxamide
CID 2307296
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
N-hexylpyridine-4-carboxamide
CID 3423732
N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231083
N-butylpyridine-4-carboxamide
CID 5030535
N-[3-(4-fluorophenyl)propyl]-3,4-dimethylbenzamide
CID 100670175
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
N-[4-(4-fluorophenyl)butyl]-1,3-benzodioxole-5-carboxamide
CID 110288748
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide (CID 84505391) is N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide is O=C(NCCCCc1ccc(F)cc1)c1ccncc1.
What is the InChIKey of N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide?
The InChIKey is UISFGRYDMQYNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-15-6-4-13(5-7-15)3-1-2-10-19-16(20)14-8-11-18-12-9-14/h4-9,11-12H,1-3,10H2,(H,19,20).
What are the key properties of N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide?
N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide has a molecular weight of 272.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide is sourced from PubChem (CID 84505391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).