N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide

C16H17FN2O3 — CID 32644150

IUPACN-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide
SMILESO=C(NCCCCOc1ccc(F)cc1)c1cc[n+]([O-])cc1
InChIInChI=1S/C16H17FN2O3/c17-14-3-5-15(6-4-14)22-12-2-1-9-18-16(20)13-7-10-19(21)11-8-13/h3-8,10-11H,1-2,9,12H2,(H,18,20)
InChIKeyNJJJTESZHGYWRR-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.05
Rot. Bonds7

About N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide

N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide (PubChem CID 32644150) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide
PubChem CID32644150
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide
SMILESO=C(NCCCCOc1ccc(F)cc1)c1cc[n+]([O-])cc1
InChIInChI=1S/C16H17FN2O3/c17-14-3-5-15(6-4-14)22-12-2-1-9-18-16(20)13-7-10-19(21)11-8-13/h3-8,10-11H,1-2,9,12H2,(H,18,20)
InChIKeyNJJJTESZHGYWRR-UHFFFAOYSA-N
XLogP2.05
TPSA65.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-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

4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide
CID 42123150
4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide
CID 42572483
4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572169
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538
N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide
CID 55454553
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
CID 3026991
N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 32645882
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 32644974

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide (CID 32644150) is N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide is O=C(NCCCCOc1ccc(F)cc1)c1cc[n+]([O-])cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide?
The InChIKey is NJJJTESZHGYWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-14-3-5-15(6-4-14)22-12-2-1-9-18-16(20)13-7-10-19(21)11-8-13/h3-8,10-11H,1-2,9,12H2,(H,18,20).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide?
N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide is sourced from PubChem (CID 32644150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).