4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide

C13H12FN3O2 — CID 46835219

IUPAC4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1
InChIInChI=1S/C13H12FN3O2/c1-16-13(18)12-7-9(4-5-17-12)19-8-2-3-11(15)10(14)6-8/h2-7H,15H2,1H3,(H,16,18)
InChIKeyZQHJPIPGBODVTG-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.95
Rot. Bonds3

About 4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide

4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide (PubChem CID 46835219) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide
PubChem CID46835219
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1
InChIInChI=1S/C13H12FN3O2/c1-16-13(18)12-7-9(4-5-17-12)19-8-2-3-11(15)10(14)6-8/h2-7H,15H2,1H3,(H,16,18)
InChIKeyZQHJPIPGBODVTG-UHFFFAOYSA-N
XLogP1.95
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxypicolinamide
CID 5214209
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 45560410
N-(3-(difluoromethoxy)phenyl)picolinamide
CID 44189740
N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 2447227
N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 862101
N-methyl-4-(4-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinamide
CID 49830591
N-(4-((2-(4-ethylpiperazine-1-carbonyl) pyridin-4-yl) oxy-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide (9j)
CID 126842928
N-(4-fluoro-3-methoxyphenyl)picolinamide
CID 42644786
N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide
CID 60196740
N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 71682500
N-(4-methoxyphenyl)-2-pyridinecarboxamide
CID 821516
N-(4-Ethoxyphenyl)picolinamide
CID 904031

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide (CID 46835219) is 4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1.
What is the InChIKey of 4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide?
The InChIKey is ZQHJPIPGBODVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-16-13(18)12-7-9(4-5-17-12)19-8-2-3-11(15)10(14)6-8/h2-7H,15H2,1H3,(H,16,18).
What are the key properties of 4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide?
4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 46835219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).