N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide

C15H15FN2O2 — CID 47473376

IUPACN-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
SMILESO=C(NCCCOc1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C15H15FN2O2/c16-13-2-4-14(5-3-13)20-11-1-8-18-15(19)12-6-9-17-10-7-12/h2-7,9-10H,1,8,11H2,(H,18,19)
InChIKeyYCXCYJKVMSWYDK-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.42
Rot. Bonds6

About N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide

N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide (PubChem CID 47473376) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
PubChem CID47473376
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
SMILESO=C(NCCCOc1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C15H15FN2O2/c16-13-2-4-14(5-3-13)20-11-1-8-18-15(19)12-6-9-17-10-7-12/h2-7,9-10H,1,8,11H2,(H,18,19)
InChIKeyYCXCYJKVMSWYDK-UHFFFAOYSA-N
XLogP2.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60605473
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide
CID 84505391
N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 32645882
N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 32644150
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
3-(pyridine-4-carbonylamino)propyl hydrogen carbonate
CID 130453907
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108541662
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide (CID 47473376) is N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide is O=C(NCCCOc1ccc(F)cc1)c1ccncc1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide?
The InChIKey is YCXCYJKVMSWYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-13-2-4-14(5-3-13)20-11-1-8-18-15(19)12-6-9-17-10-7-12/h2-7,9-10H,1,8,11H2,(H,18,19).
What are the key properties of N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide?
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 47473376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).