N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide

C13H10FN3O2 — CID 115496681

IUPACN-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C13H10FN3O2/c14-11-3-1-2-10(17-11)13(19)16-9-6-4-8(5-7-9)12(15)18/h1-7H,(H2,15,18)(H,16,19)
InChIKeyWYFRTCJWBDAFOG-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.57
Rot. Bonds3

About N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide

N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide (PubChem CID 115496681) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
PubChem CID115496681
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC NameN-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C13H10FN3O2/c14-11-3-1-2-10(17-11)13(19)16-9-6-4-8(5-7-9)12(15)18/h1-7H,(H2,15,18)(H,16,19)
InChIKeyWYFRTCJWBDAFOG-UHFFFAOYSA-N
XLogP1.57
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 115497027
6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide
CID 115497261
6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 115497260
N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497227
6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 115497288
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323580
ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115497035
6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 115497769
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
N-(4-carbamoylphenyl)cinnoline-3-carboxamide
CID 110705141

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide (CID 115496681) is N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide is NC(=O)c1ccc(NC(=O)c2cccc(F)n2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide?
The InChIKey is WYFRTCJWBDAFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c14-11-3-1-2-10(17-11)13(19)16-9-6-4-8(5-7-9)12(15)18/h1-7H,(H2,15,18)(H,16,19).
What are the key properties of N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide?
N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide has a molecular weight of 259.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115496681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).