N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

C12H10FN3O2 — CID 114038625

IUPACN-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESNc1ccc(F)c(NC(=O)c2c[nH]ccc2=O)c1
InChIInChI=1S/C12H10FN3O2/c13-9-2-1-7(14)5-10(9)16-12(18)8-6-15-4-3-11(8)17/h1-6H,14H2,(H,15,17)(H,16,18)
InChIKeySMYTVBKVSNQKPH-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.35
Rot. Bonds2

About N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 114038625) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID114038625
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC NameN-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESNc1ccc(F)c(NC(=O)c2c[nH]ccc2=O)c1
InChIInChI=1S/C12H10FN3O2/c13-9-2-1-7(14)5-10(9)16-12(18)8-6-15-4-3-11(8)17/h1-6H,14H2,(H,15,17)(H,16,18)
InChIKeySMYTVBKVSNQKPH-UHFFFAOYSA-N
XLogP1.35
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103336940
N-(5-amino-2-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107670559
N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 114038955
N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide
CID 103805312
N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 23633101
5-amino-2-fluoro-N-(2-fluorophenyl)benzamide
CID 43510738
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337253
N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide
CID 114818556
N-(5-amino-2-fluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103793620
N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide
CID 115736636
N-(5-amino-2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
CID 43600094

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (CID 114038625) is N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is Nc1ccc(F)c(NC(=O)c2c[nH]ccc2=O)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SMYTVBKVSNQKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-9-2-1-7(14)5-10(9)16-12(18)8-6-15-4-3-11(8)17/h1-6H,14H2,(H,15,17)(H,16,18).
What are the key properties of N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 247.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114038625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).