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

C13H8FN3O2 — CID 103765200

IUPACN-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cc[nH]c(=O)c2)ccc1F
InChIInChI=1S/C13H8FN3O2/c14-11-2-1-10(5-9(11)7-15)17-13(19)8-3-4-16-12(18)6-8/h1-6H,(H,16,18)(H,17,19)
InChIKeyRTBXXAZJDVQFAO-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.64
Rot. Bonds2

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

N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103765200) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103765200
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC NameN-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cc[nH]c(=O)c2)ccc1F
InChIInChI=1S/C13H8FN3O2/c14-11-2-1-10(5-9(11)7-15)17-13(19)8-3-4-16-12(18)6-8/h1-6H,(H,16,18)(H,17,19)
InChIKeyRTBXXAZJDVQFAO-UHFFFAOYSA-N
XLogP1.64
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
methyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate
CID 103763630
N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 62315667
N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide
CID 62316846
2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 113255679
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63978798
N-(3-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78948945
N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
CID 62315615
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
CID 107786862
N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113290193
4-chloro-N-(3-cyano-4-fluorophenyl)-2-hydroxybenzamide
CID 62316486
N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343561

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide (CID 103765200) is N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide is N#Cc1cc(NC(=O)c2cc[nH]c(=O)c2)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is RTBXXAZJDVQFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-11-2-1-10(5-9(11)7-15)17-13(19)8-3-4-16-12(18)6-8/h1-6H,(H,16,18)(H,17,19).
What are the key properties of N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide?
N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 257.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103765200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).